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EVODEX.1-P1807

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[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]([C:44](=[O:45])[S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:135])([C:59]([C:60]([H:136])([H:137])[H:138])([C:61]([H:139])([H:140])[H:141])[C:62]([O:63][P:64](=[O:65])([O:66][H:142])[O:67][P:68](=[O:69])([O:70][H:143])[O:71][C:72]([C@@:73]1([H:144])[O:74][C@:75]([N:76]2:[C:77]([H:145]):[N:78]:[C:79]3:[C:80]([N:81]([H:146])[H:147]):[N:82]:[C:83]([H:148]):[N:84]:[C:85]:2:3)([H:149])[C@@:86]([O:87][H:150])([H:151])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:152])[O:93][H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[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]OP(=O)(O[H])OC([H])([H])[C@]([H])(O[C:44]([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]([H:196])([H:197])[H:198])([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])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])=[O:45])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:135])([C:59]([C:60]([H:136])([H:137])[H:138])([C:61]([H:139])([H:140])[H:141])[C:62]([O:63][P:64](=[O:65])([O:66][H:142])[O:67][P:68](=[O:69])([O:70][H:143])[O:71][C:72]([C@@:73]1([H:144])[O:74][C@:75]([N:76]2:[C:77]([H:145]):[N:78]:[C:79]3:[C:80]([N:81]([H:146])[H:147]):[N:82]:[C:83]([H:148]):[N:84]:[C:85]:2:3)([H:149])[C@@:86]([O:87][H:150])([H:151])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:152])[O:93][H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])[H:160])([H:161])[H:162])([H:163])[H:164])[H:165])([H:166])[H:167])([H:168])[H:169]

Derived Operators

EVODEX.1-F358 - Elemental Balance

P1
O7
C21
H41

EVODEX.1-M362 - Mass Difference

436.25913

EVODEX.1-E1149 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19]>>[#6:15]-[#6:16](=[#8:17])-[#8]-[#6@](-[#6](-[#8]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H].[#16:18](-[#6:19])-[H]

EVODEX.1-C332 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:20]-[#16:22]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[#6:20])-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:22]

EVODEX.1-N385 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[#6:20](-[#6:19])=[#8:21])-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:22]-[#6:23]

EVODEX.1-Em6 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]

EVODEX.1-Cm12 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-Nm7 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]

Source Full Reactions

EVODEX.1-R2459

Full Reaction Rendering

[H][O:23][C@:22]([C:21]([O:20][C:18]([C:17]([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:132])([H:133])[H:134])([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:117])[H:116])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])=[O:19])([H:100])[H:101])([C:24]([O:25][P:26](=[O:27])([O:28][H:95])[O:29][H:96])([H:97])[H:98])[H:99].[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]([C:44](=[O:45])[S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:135])([C:59]([C:60]([H:136])([H:137])[H:138])([C:61]([H:139])([H:140])[H:141])[C:62]([O:63][P:64](=[O:65])([O:66][H:142])[O:67][P:68](=[O:69])([O:70][H:143])[O:71][C:72]([C@@:73]1([H:144])[O:74][C@:75]([N:76]2:[C:77]([H:145]):[N:78]:[C:79]3:[C:80]([N:81]([H:146])[H:147]):[N:82]:[C:83]([H:148]):[N:84]:[C:85]:2:3)([H:149])[C@@:86]([O:87][H:150])([H:151])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:152])[O:93][H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[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]>>[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]([C:17]([C:18](=[O:19])[O:20][C:21]([C@@:22]([O:23][C:44]([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]([H:196])([H:197])[H:198])([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])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])=[O:45])([C:24]([O:25][P:26](=[O:27])([O:28][H:95])[O:29][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][S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:135])([C:59]([C:60]([H:136])([H:137])[H:138])([C:61]([H:139])([H:140])[H:141])[C:62]([O:63][P:64](=[O:65])([O:66][H:142])[O:67][P:68](=[O:69])([O:70][H:143])[O:71][C:72]([C@@:73]1([H:144])[O:74][C@:75]([N:76]2:[C:77]([H:145]):[N:78]:[C:79]3:[C:80]([N:81]([H:146])[H:147]):[N:82]:[C:83]([H:148]):[N:84]:[C:85]:2:3)([H:149])[C@@:86]([O:87][H:150])([H:151])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:152])[O:93][H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])[H:160])([H:161])[H:162])([H:163])[H:164])[H:165])([H:166])[H:167])([H:168])[H:169]