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EVODEX.1-P5476

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:21])([H:22])[H:23])([H:24])[H:25])([C:8](=[O:9])[O:10][H:26])[H:27])[H:28]>>[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:21])([H:22])[H:23])([H:24])[H:25])([C:8](=[O:9])[O:10][H:26])[H:27])[H:28]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F214 - Elemental Balance

C8
O1
H6

EVODEX.1-M284 - Mass Difference

118.04188

EVODEX.1-E921 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2])(-[H:28])-[H]>>[#7:1](-[#6:2])(-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H:28]

EVODEX.1-C682 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N840 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6@@:2])-[H:28]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:28]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6219

Full Reaction Rendering

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