EVODEX Logo

EVODEX.1-P1751

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:20][C@:19]1([H:102])[C:18]([H:99])([H:100])[C:17]2=[C:16]([H:98])[C:15]([H:97])=[C:14]3[C@:13]4([H:96])[C:12]([H:94])([H:95])[C:11]([H:92])([H:93])[C@@:10]([C@@:8]([C:7](=[C:6]([C@@:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:82])([H:83])[H:84])[H:120])([C:5]([H:85])([H:86])[H:87])[H:119])[H:118])[H:117])([C:9]([H:88])([H:89])[H:90])[H:116])([H:91])[C@@:28]4([C:29]([H:113])([H:114])[H:115])[C:27]([H:111])([H:112])[C:26]([H:110])=[C:25]3[C@@:23]2([C:24]([H:107])([H:108])[H:109])[C:22]([H:105])([H:106])[C:21]1([H:103])[H:104]>>[H]C(=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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:20][C@:19]1([H:102])[C:18]([H:99])([H:100])[C:17]2=[C:16]([H:98])[C:15]([H:97])=[C:14]3[C@:13]4([H:96])[C:12]([H:94])([H:95])[C:11]([H:92])([H:93])[C@@:10]([C@@:8]([C:7](=[C:6]([C@@:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:82])([H:83])[H:84])[H:120])([C:5]([H:85])([H:86])[H:87])[H:119])[H:118])[H:117])([C:9]([H:88])([H:89])[H:90])[H:116])([H:91])[C@@:28]4([C:29]([H:113])([H:114])[H:115])[C:27]([H:111])([H:112])[C:26]([H:110])=[C:25]3[C@@:23]2([C:24]([H:107])([H:108])[H:109])[C:22]([H:105])([H:106])[C:21]1([H:103])[H:104]

Derived Operators

EVODEX.1-F79 - Elemental Balance

C18
O1
H32

EVODEX.1-M220 - Mass Difference

264.24546

EVODEX.1-E647 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:24]-[#8:25]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:25]-[#6:24])(-[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]

EVODEX.1-C313 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:23]>>[H]-[#6](=[#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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:23]

EVODEX.1-N363 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:23]-[#6:22]>>[H]-[#6](=[#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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:23]-[#6:22]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2341

Full Reaction Rendering

[H][O:20][C@:19]1([H:102])[C:18]([H:99])([H:100])[C:17]2=[C:16]([H:98])[C:15]([H:97])=[C:14]3[C@:13]4([H:96])[C:12]([H:94])([H:95])[C:11]([H:92])([H:93])[C@@:10]([C@@:8]([C:7](=[C:6]([C@@:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:82])([H:83])[H:84])[H:120])([C:5]([H:85])([H:86])[H:87])[H:119])[H:118])[H:117])([C:9]([H:88])([H:89])[H:90])[H:116])([H:91])[C@@:28]4([C:29]([H:113])([H:114])[H:115])[C:27]([H:111])([H:112])[C:26]([H:110])=[C:25]3[C@@:23]2([C:24]([H:107])([H:108])[H:109])[C:22]([H:105])([H:106])[C:21]1([H:103])[H:104].[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]([C:45]([C:46]([C:47](=[O:48])[O:49][C@:50]([C:51]([O:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([C:68]([C:69]([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:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([C:70]([O:71][P:72](=[O:73])([O:74][H:157])[O:75][C:76]([C:77]([N+:78]([C:79]([H:158])([H:159])[H:160])([C:80]([H:161])([H:162])[H:163])[C:81]([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]([H:82])([H:83])[H:84])([C@@:4]([C:5]([H:85])([H:86])[H:87])([C:6](=[C:7]([C@@:8]([C:9]([H:88])([H:89])[H:90])([C@@:10]1([H:91])[C:11]([H:92])([H:93])[C:12]([H:94])([H:95])[C@@:13]2([H:96])[C:14]3=[C:15]([H:97])[C:16]([H:98])=[C:17]4[C:18]([H:99])([H:100])[C@:19]([O:20][C:47]([C:46]([C:45]([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: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:189])[H:188])([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])=[O:48])([H:102])[C:21]([H:103])([H:104])[C:22]([H:105])([H:106])[C@:23]4([C:24]([H:107])([H:108])[H:109])[C:25]3=[C:26]([H:110])[C:27]([H:111])([H:112])[C@:28]12[C:29]([H:113])([H:114])[H:115])[H:116])[H:117])[H:118])[H:119])[H:120])([H:121])([H:122])[H:123].[H][O:49][C@:50]([C:51]([O:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([C:68]([C:69]([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:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([C:70]([O:71][P:72](=[O:73])([O:74][H:157])[O:75][C:76]([C:77]([N+:78]([C:79]([H:158])([H:159])[H:160])([C:80]([H:161])([H:162])[H:163])[C:81]([H:164])([H:165])[H:166])([H:167])[H:168])([H:169])[H:170])([H:171])[H:172])[H:173]