EVODEX.1-P3871

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E185 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:81]-[#6:83](=[#8:84])-[#8:85]-[#6:86].[#8:92](-[H:177])-[H]>>([#6:81]-[#6:83](=[#8:84])-[#8:92]-[H:177].[#6:86]-[#8:85]-[H])

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N613 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em587 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm527 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R4731

Full Reaction Rendering

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