EVODEX.1-P158

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:34])([H:35])[H:36])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:37])([H:38])[H:39])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:40])([H:41])[H:42])[C:19]([H:43])([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])([H:52])[H:53])=[C:20]([C:21]([H:54])([H:55])[H:56])[C:22]1=[O:23])([H:57])([H:58])[H:59].[H][C@@:30]([C:29]([O:28][P:25](=[O:24])([O:26][H:60])[O:27][H:61])([H:67])[H:68])([O:31][H])[C:32]([O:33][H:63])([H:64])[H:65]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:34])([H:35])[H:36]):[C:3]([O:2][C:1]([H:57])([H:58])[H:59]):[C:22]([O:23][H]):[C:20]([C:21]([H:54])([H:55])[H:56]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:37])([H:38])[H:39])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:40])([H:41])[H:42])[C:19]([H:43])([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])([H:52])[H:53].[O:24]=[P:25]([O:26][H:60])([O:27][H:61])[O:28][C:29]([C:30](=[O:31])[C:32]([O:33][H:63])([H:64])[H:65])([H:67])[H:68]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E314 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:14](-[#6@:13](-[#6@:11])(-[#6@:15])-[H])-[H]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H]

EVODEX.1-C72 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).[H]-[#6@:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-N83 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6@:13](-[#6@:11])(-[#8:14]-[H])-[#6@:15]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

EVODEX.1-Em195 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm98 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

Source Full Reactions

EVODEX.1-R203

Full Reaction Rendering

[C:1]([O:2][C:3]1=[C:4]([O:5][C:6]([H:34])([H:35])[H:36])[C:7](=[O:8])[C:9]([C:10]([C:11](=[C:12]([C:13]([H:37])([H:38])[H:39])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:40])([H:41])[H:42])[C:19]([H:43])([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])([H:52])[H:53])=[C:20]([C:21]([H:54])([H:55])[H:56])[C:22]1=[O:23])([H:57])([H:58])[H:59].[H][C@@:30]([C:29]([O:28][P:25](=[O:24])([O:26][H:60])[O:27][H:61])([H:67])[H:68])([O:31][H])[C:32]([O:33][H:63])([H:64])[H:65]>>[H][O:8][C:7]1:[C:4]([O:5][C:6]([H:34])([H:35])[H:36]):[C:3]([O:2][C:1]([H:57])([H:58])[H:59]):[C:22]([O:23][H]):[C:20]([C:21]([H:54])([H:55])[H:56]):[C:9]:1[C:10]([C:11](=[C:12]([C:13]([H:37])([H:38])[H:39])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:40])([H:41])[H:42])[C:19]([H:43])([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])([H:52])[H:53].[O:24]=[P:25]([O:26][H:60])([O:27][H:61])[O:28][C:29]([C:30](=[O:31])[C:32]([O:33][H:63])([H:64])[H:65])([H:67])[H:68]