EVODEX.1-P4902

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([O:4][C:5]([C:6](=[O:7])[O:8][H:32])([C:9]1:[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]:1[H:37])[H:38])[C:15](=[C:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:45]):[C:28]([H:46]):[C:29]([H:47]):[C:30]([H:48]):[C:31]:1[H:49])[H:50].[H][O:1][H:51]>>[O:1]([C:3](=[O:2])[C:15](=[C:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:45]):[C:28]([H:46]):[C:29]([H:47]):[C:30]([H:48]):[C:31]:1[H:49])[H:50])[H:51].[H][O:4][C:5]([C:6](=[O:7])[O:8][H:32])([C:9]1:[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]:1[H:37])[H:38]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-N55 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]-[H:17]>>[#6:2]-[#6:3](=[#8:4])-[#8:8]-[H:17].[H]-[#8:5]-[#6:6]

EVODEX.1-Em598 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

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-Nm149 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]>>[#6:2]-[#6:3](=[#8:4])-[#8:8].[H]-[#8:5]-[#6:6]

Source Full Reactions

EVODEX.1-R5692

Full Reaction Rendering

[O:2]=[C:3]([O:4][C:5]([C:6](=[O:7])[O:8][H:32])([C:9]1:[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]:1[H:37])[H:38])[C:15](=[C:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:45]):[C:28]([H:46]):[C:29]([H:47]):[C:30]([H:48]):[C:31]:1[H:49])[H:50].[H][O:1][H:51]>>[O:1]([C:3](=[O:2])[C:15](=[C:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:45]):[C:28]([H:46]):[C:29]([H:47]):[C:30]([H:48]):[C:31]:1[H:49])[H:50])[H:51].[H][O:4][C:5]([C:6](=[O:7])[O:8][H:32])([C:9]1:[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]:1[H:37])[H:38]