EVODEX.1-P4082

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])([C:8]([O:9][C:10](=[O:11])[C:12]1:[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]([H:38]):[C:17]:1[C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:29][H:68]>>[C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([O:29][H:68])([H:54])[H:55].[H][O:20][C:18]([C:17]1:[C:12]([C:10]([O:9][C:8]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])[H:58])([H:56])[H:57])=[O:11]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])=[O:19]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E97 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21].[#8:14](-[H:27])-[H]>>[#6:2]-[#6:3](-[#8:14]-[H:27])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N638 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4])(-[H:21])-[H:22].[H]-[#8:13]-[H:26]>>[#6:1]-[#6:2](-[#8:13]-[H:26])(-[H:21])-[H:22].[H]-[#8:3]-[#6:4]

EVODEX.1-Em117 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm151 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4926

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])([C:8]([O:9][C:10](=[O:11])[C:12]1:[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]([H:38]):[C:17]:1[C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:29][H:68]>>[C:21]([C:22]([C:23]([C:24]([H:39])([H:40])[H:41])([H:42])[H:43])([C:25]([C:26]([C:27]([C:28]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([O:29][H:68])([H:54])[H:55].[H][O:20][C:18]([C:17]1:[C:12]([C:10]([O:9][C:8]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([C:6]([C:7]([H:30])([H:31])[H:32])([H:33])[H:34])[H:58])([H:56])[H:57])=[O:11]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])=[O:19]