EVODEX.1-P6548

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R7125

Full Reaction Rendering

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