EVODEX.1-P1503

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:65][C:64]([C:63]([N:62]([C:60]([C:59]([C:58]([N:57]([C:55]([C@@:53]([C:19]([C:18]([H:99])([H:100])[H:101])([C:20]([H:66])([H:67])[H:68])[C:21]([O:22][P:23](=[O:24])([O:25][H:69])[O:26][P:27](=[O:28])([O:29][H:70])[O:30][C:31]([C@@:32]1([H:71])[O:33][C@:34]([N:35]2:[C:36]([H:72]):[N:37]:[C:38]3:[C:39]([N:40]([H:73])[H:74]):[N:41]:[C:42]([H:75]):[N:43]:[C:44]:2:3)([H:76])[C@@:45]([O:46][H:77])([H:78])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:79])[O:52][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([O:54][H:86])[H:98])=[O:56])[H:97])([H:95])[H:96])([H:93])[H:94])=[O:61])[H:92])([H:90])[H:91])([H:88])[H:89].[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[C@:7]([O:8][H:102])([C:9]([C:10](=[O:11])[O:12][H:103])([H:104])[H:105])[C:13]([N+:14]([C:15]([H:106])([H:107])[H:108])([C:16]([H:109])([H:110])[H:111])[C:17]([H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])([H:120])[H:121]>>[H][C@@:7]([O:8][H:102])([C:9]([C:10](=[O:11])[O:12][H:103])([H:104])[H:105])[C:13]([N+:14]([C:15]([H:106])([H:107])[H:108])([C:16]([H:109])([H:110])[H:111])[C:17]([H:112])([H:113])[H:114])([H:115])[H:116].[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[S:65][C:64]([C:63]([N:62]([C:60]([C:59]([C:58]([N:57]([C:55]([C@@:53]([C:19]([C:18]([H:99])([H:100])[H:101])([C:20]([H:66])([H:67])[H:68])[C:21]([O:22][P:23](=[O:24])([O:25][H:69])[O:26][P:27](=[O:28])([O:29][H:70])[O:30][C:31]([C@@:32]1([H:71])[O:33][C@:34]([N:35]2:[C:36]([H:72]):[N:37]:[C:38]3:[C:39]([N:40]([H:73])[H:74]):[N:41]:[C:42]([H:75]):[N:43]:[C:44]:2:3)([H:76])[C@@:45]([O:46][H:77])([H:78])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:79])[O:52][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([O:54][H:86])[H:98])=[O:56])[H:97])([H:95])[H:96])([H:93])[H:94])=[O:61])[H:92])([H:90])[H:91])([H:88])[H:89])([H:117])[H:118])([H:119])([H:120])[H:121]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E279 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#6:52]-[#6:53](=[#8:54])-[#6:55](-[#8:56])(-[#6:57])-[#6:61]>>[#6:47]-[#16:48]-[#6:53](-[#6:52])=[#8:54].[#6:55](-[#8:56])(-[#6:57])(-[#6:61])-[H]

EVODEX.1-C86 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-N327 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Em435 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Cm114 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-Nm389 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

Source Full Reactions

EVODEX.1-R2031

Full Reaction Rendering

[H][S:65][C:64]([C:63]([N:62]([C:60]([C:59]([C:58]([N:57]([C:55]([C@@:53]([C:19]([C:18]([H:99])([H:100])[H:101])([C:20]([H:66])([H:67])[H:68])[C:21]([O:22][P:23](=[O:24])([O:25][H:69])[O:26][P:27](=[O:28])([O:29][H:70])[O:30][C:31]([C@@:32]1([H:71])[O:33][C@:34]([N:35]2:[C:36]([H:72]):[N:37]:[C:38]3:[C:39]([N:40]([H:73])[H:74]):[N:41]:[C:42]([H:75]):[N:43]:[C:44]:2:3)([H:76])[C@@:45]([O:46][H:77])([H:78])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:79])[O:52][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([O:54][H:86])[H:98])=[O:56])[H:97])([H:95])[H:96])([H:93])[H:94])=[O:61])[H:92])([H:90])[H:91])([H:88])[H:89].[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[C@:7]([O:8][H:102])([C:9]([C:10](=[O:11])[O:12][H:103])([H:104])[H:105])[C:13]([N+:14]([C:15]([H:106])([H:107])[H:108])([C:16]([H:109])([H:110])[H:111])[C:17]([H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])([H:120])[H:121]>>[H][C@@:7]([O:8][H:102])([C:9]([C:10](=[O:11])[O:12][H:103])([H:104])[H:105])[C:13]([N+:14]([C:15]([H:106])([H:107])[H:108])([C:16]([H:109])([H:110])[H:111])[C:17]([H:112])([H:113])[H:114])([H:115])[H:116].[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[S:65][C:64]([C:63]([N:62]([C:60]([C:59]([C:58]([N:57]([C:55]([C@@:53]([C:19]([C:18]([H:99])([H:100])[H:101])([C:20]([H:66])([H:67])[H:68])[C:21]([O:22][P:23](=[O:24])([O:25][H:69])[O:26][P:27](=[O:28])([O:29][H:70])[O:30][C:31]([C@@:32]1([H:71])[O:33][C@:34]([N:35]2:[C:36]([H:72]):[N:37]:[C:38]3:[C:39]([N:40]([H:73])[H:74]):[N:41]:[C:42]([H:75]):[N:43]:[C:44]:2:3)([H:76])[C@@:45]([O:46][H:77])([H:78])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:79])[O:52][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([O:54][H:86])[H:98])=[O:56])[H:97])([H:95])[H:96])([H:93])[H:94])=[O:61])[H:92])([H:90])[H:91])([H:88])[H:89])([H:117])[H:118])([H:119])([H:120])[H:121]