EVODEX Logo

EVODEX.1-P1861

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:27][C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([S:18][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:138])([H:139])[H:140])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])=[O:17])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([H:204])([H:205])[H:206])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])=[O:44])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16](=[O:17])[S:18][C:19]([C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([S:27][C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([H:204])([H:205])[H:206])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])=[O:44])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])([H:139])[H:140]

Derived Operators

EVODEX.1-F49 - Elemental Balance

P-3
O-16
C-21
S-1
N-7
H-36

EVODEX.1-M7 - Mass Difference

-767.1154799999999

EVODEX.1-E542 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:66](-[#6:67])-[H]>>[#6:15]-[#6:16](=[#8:17])-[#16:66]-[#6:67]

EVODEX.1-C305 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:27].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:43])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#16:27]-[#6:43]

EVODEX.1-N351 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:27]-[#6:26].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:43](-[#6:42])=[#8:44])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#6:26]-[#16:27]-[#6:43](-[#6:42])=[#8:44]

EVODEX.1-Em447 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:27]-[#6:26].[#6]-[#16]-[#6:43](-[#6:42])=[#8:44]>>[#6:26]-[#16:27]-[#6:43](-[#6:42])=[#8:44]

EVODEX.1-Cm133 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:27].[#16]-[#6:43]>>[#16:27]-[#6:43]

EVODEX.1-Nm400 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:27]-[#6:26].[#6]-[#16]-[#6:43](-[#6:42])=[#8:44]>>[#6:26]-[#16:27]-[#6:43](-[#6:42])=[#8:44]

Source Full Reactions

EVODEX.1-R2558

Full Reaction Rendering

[H][S:27][C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([S:18][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:138])([H:139])[H:140])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])=[O:17])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95].[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43](=[O:44])[S:45][C:46]([C:47]([N:48]([C:49](=[O:50])[C:51]([C:52]([N:53]([C:54](=[O:55])[C@:56]([O:57][H:141])([C:58]([C:59]([H:142])([H:143])[H:144])([C:60]([H:145])([H:146])[H:147])[C:61]([O:62][P:63](=[O:64])([O:65][H:148])[O:66][P:67](=[O:68])([O:69][H:149])[O:70][C:71]([C@@:72]1([H:150])[O:73][C@:74]([N:75]2:[C:76]([H:151]):[N:77]:[C:78]3:[C:79]([N:80]([H:152])[H:153]):[N:81]:[C:82]([H:154]):[N:83]:[C:84]:2:3)([H:155])[C@@:85]([O:86][H:156])([H:157])[C@@:87]1([O:88][P:89](=[O:90])([O:91][H:158])[O:92][H:159])[H:160])([H:161])[H:162])([H:163])[H:164])[H:165])[H:166])([H:167])[H:168])([H:169])[H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])[H:195])([H:196])[H:197])([H:198])[H:199])([H:200])[H:201])([H:202])[H:203])([H:204])([H:205])[H:206]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16](=[O:17])[S:18][C:19]([C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([S:27][C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([H:204])([H:205])[H:206])([H:202])[H:203])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])=[O:44])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])([H:139])[H:140].[H][S:45][C:46]([C:47]([N:48]([C:49](=[O:50])[C:51]([C:52]([N:53]([C:54](=[O:55])[C@:56]([O:57][H:141])([C:58]([C:59]([H:142])([H:143])[H:144])([C:60]([H:145])([H:146])[H:147])[C:61]([O:62][P:63](=[O:64])([O:65][H:148])[O:66][P:67](=[O:68])([O:69][H:149])[O:70][C:71]([C@@:72]1([H:150])[O:73][C@:74]([N:75]2:[C:76]([H:151]):[N:77]:[C:78]3:[C:79]([N:80]([H:152])[H:153]):[N:81]:[C:82]([H:154]):[N:83]:[C:84]:2:3)([H:155])[C@@:85]([O:86][H:156])([H:157])[C@@:87]1([O:88][P:89](=[O:90])([O:91][H:158])[O:92][H:159])[H:160])([H:161])[H:162])([H:163])[H:164])[H:165])[H:166])([H:167])[H:168])([H:169])[H:170])[H:171])([H:172])[H:173])([H:174])[H:175]