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EVODEX.1-P6471

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E376 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:42]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])(-[H:42])-[H])-[#8]-[H]

EVODEX.1-C1450 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:9]=[#6:10].[#6@:18])>>([H]-[#8]-[#6:10]-[#6:9]-[H].[#6@@:18])

EVODEX.1-N1858 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:8]-[#6:9](=[#6:10](-[#6:11])-[#6:12])-[H:36].[#6:17]-[#6@:18](-[#6:19])(-[H:46])-[#8:26])>>([H]-[#8]-[#6:10](-[#6:9](-[H])(-[#6:8])-[H:36])(-[#6:11])-[#6:12].[#8:26]-[#6@@:18](-[#6:19])(-[H:46])-[#6:17])

EVODEX.1-Em764 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm111 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]=[#6:10]>>[#8]-[#6:10]-[#6:9]-[H]

EVODEX.1-Nm688 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7055

Full Reaction Rendering

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