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EVODEX.1-P4966

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N1C(=O)C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:10]([C:9]1:[C:8]([H:24]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:23]):[C:2]([C:1]([H:34])([H:35])[H:36]):[C:21]:2:[C:20]([H:33]):[C:19]:1[H:32])[H:31]>>[H][N:10]([C:9]1:[C:8]([H:24]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:23]):[C:2]([C:1]([H:34])([H:35])[H:36]):[C:21]:2:[C:20]([H:33]):[C:19]:1[H:32])[H:31]

Derived Operators

EVODEX.1-F233 - Elemental Balance

O-2
C-5
N-1
H-5

EVODEX.1-M293 - Mass Difference

-111.03205

EVODEX.1-E953 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:17](-[#6@:9])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]-1-[H])-[H:40]>>[#7:17](-[#6@:9])(-[H:40])-[H]

EVODEX.1-C625 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]1-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:9]>>[H]-[#7:9]

EVODEX.1-N780 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]1-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:50]>>[H]-[#7:9](-[#6@@:10])-[H:50]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5748

Full Reaction Rendering

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