EVODEX.1-P6549

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E236 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#16:10]-[#6:11](=[#8:12])-[#6@:13](-[#8:14]-[H])(-[#6:15])-[H]>>[#6:11](=[#8:12])(-[#6:13](=[#8:14])-[#6:15])-[H].[#6:9]-[#16:10]-[H]

EVODEX.1-C758 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@:8](-[#8:9]-[H])-[#6:10]-[#16:12]>>[H]-[#6:10]-[#6:8]=[#8:9].[H]-[#16:12]

EVODEX.1-N965 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:8](-[#6:7])(-[#8:9]-[H])-[#6:10](=[#8:11])-[#16:12]-[#6:13]>>[H]-[#6:10](-[#6:8](-[#6:7])=[#8:9])=[#8:11].[H]-[#16:12]-[#6:13]

EVODEX.1-Em784 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#6:7])(-[#8:9]-[H])-[#6:10](=[#8:11])-[#16:12]-[#6:13]>>[H]-[#6:10](-[#6:8](-[#6:7])=[#8:9])=[#8:11].[H]-[#16:12]-[#6:13]

EVODEX.1-Cm310 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:8](-[#8:9]-[H])-[#6:10]-[#16:12]>>[H]-[#6:10]-[#6:8]=[#8:9].[H]-[#16:12]

EVODEX.1-Nm705 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#6:7])(-[#8:9]-[H])-[#6:10](=[#8:11])-[#16:12]-[#6:13]>>[H]-[#6:10](-[#6:8](-[#6:7])=[#8:9])=[#8:11].[H]-[#16:12]-[#6:13]

Source Full Reactions

EVODEX.1-R7126

Full Reaction Rendering

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