EVODEX.1-P1700

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55].[C:1]([C:2]([C:3]([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[H][S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E205 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[#8:52](-[#6:53])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:52]-[#6:53].[#16:4](-[#6:5])-[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-R2258

Full Reaction Rendering

[H][O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55].[C:1]([C:2]([C:3]([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[H][S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71]