EVODEX.1-P1607

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:40][C:39]([C@@:37]1([O:38][H:63])[C@:23]([N:22]([C:21]2:[C:20]([H:44]):[C:19]([H:43]):[C:18]([H:42]):[C:17]([C:15]([C:14]([H:69])([H:70])[H:71])=[O:16]):[C:41]:2[H:68])[H:67])([H:45])[C@@:24]([N:25]([H:46])[H:47])([H:48])[C@:26]([C:27]([H:49])([H:50])[H:51])([N:28]([C:29](=[O:30])[N:31]([C:32]([H:52])([H:53])[H:54])[C:33]([H:55])([H:56])[H:57])[H:58])[C@@:34]1([C:35]([H:59])([H:60])[H:61])[O:36][H:62])([H:65])[H:66].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]([C:11]([C:12]([H:72])([H:73])[H:74])([C:13]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]([C:11]([C:12]([H:72])([H:73])[H:74])([C:13]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])[O:40][C:39]([C@@:37]1([O:38][H:63])[C@:23]([N:22]([C:21]2:[C:20]([H:44]):[C:19]([H:43]):[C:18]([H:42]):[C:17]([C:15]([C:14]([H:69])([H:70])[H:71])=[O:16]):[C:41]:2[H:68])[H:67])([H:45])[C@@:24]([N:25]([H:46])[H:47])([H:48])[C@:26]([C:27]([H:49])([H:50])[H:51])([N:28]([C:29](=[O:30])[N:31]([C:32]([H:52])([H:53])[H:54])[C:33]([H:55])([H:56])[H:57])[H:58])[C@@:34]1([C:35]([H:59])([H:60])[H:61])[O:36][H:62])([H:65])[H:66].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E306 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6].[#7:53]-[#6@@:54](-[#6:55]-[#6:56]-[#8:57]-[H])(-[#6:58])-[H:107]>>[#6:2]-[#6:3](=[#8:4])-[#8:57]-[#6:56]-[#6:55]-[#6@:54](-[#7:53])(-[#6:58])-[H:107].[#16:5](-[#6:6])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N1 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23].[H]-[#8:92]-[#6:91]>>[#6:19]-[#6:20](=[#8:21])-[#8:92]-[#6:91].[H]-[#16:22]-[#6:23]

EVODEX.1-Em43 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19].[H]-[#8:77]-[#6:76]>>[#6:15]-[#6:16](=[#8:17])-[#8:77]-[#6:76].[H]-[#16:18]-[#6:19]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm31 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23].[H]-[#8:92]-[#6:91]>>[#6:19]-[#6:20](=[#8:21])-[#8:92]-[#6:91].[H]-[#16:22]-[#6:23]

Source Full Reactions

EVODEX.1-R2157

Full Reaction Rendering

[H][O:40][C:39]([C@@:37]1([O:38][H:63])[C@:23]([N:22]([C:21]2:[C:20]([H:44]):[C:19]([H:43]):[C:18]([H:42]):[C:17]([C:15]([C:14]([H:69])([H:70])[H:71])=[O:16]):[C:41]:2[H:68])[H:67])([H:45])[C@@:24]([N:25]([H:46])[H:47])([H:48])[C@:26]([C:27]([H:49])([H:50])[H:51])([N:28]([C:29](=[O:30])[N:31]([C:32]([H:52])([H:53])[H:54])[C:33]([H:55])([H:56])[H:57])[H:58])[C@@:34]1([C:35]([H:59])([H:60])[H:61])[O:36][H:62])([H:65])[H:66].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]([C:11]([C:12]([H:72])([H:73])[H:74])([C:13]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]([C:11]([C:12]([H:72])([H:73])[H:74])([C:13]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])[O:40][C:39]([C@@:37]1([O:38][H:63])[C@:23]([N:22]([C:21]2:[C:20]([H:44]):[C:19]([H:43]):[C:18]([H:42]):[C:17]([C:15]([C:14]([H:69])([H:70])[H:71])=[O:16]):[C:41]:2[H:68])[H:67])([H:45])[C@@:24]([N:25]([H:46])[H:47])([H:48])[C@:26]([C:27]([H:49])([H:50])[H:51])([N:28]([C:29](=[O:30])[N:31]([C:32]([H:52])([H:53])[H:54])[C:33]([H:55])([H:56])[H:57])[H:58])[C@@:34]1([C:35]([H:59])([H:60])[H:61])[O:36][H:62])([H:65])[H:66].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]