EVODEX.1-P5497 - Partial Reaction

SMIRKS

[H]N1C(=O)N([H])C2([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:23])([H:42])[H:43])([H:40])[H:41])[H:39])SC([H])([H])C12[H]>>[H][N:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:23])([H:42])[H:43])([H:40])[H:41])[H:39]

Derived Operators

EVODEX.1-F541 - Elemental Balance

C	-10
O	-2
S	-1
N	-2
H	-14

EVODEX.1-M513 - Mass Difference

-226.07772000000003

EVODEX.1-E1360 - Reaction Operator E

[#8]=[#6](-[#6](-[#6](-[#6](-[#6](-[#6@]1(-[H])-[#16]-[#6](-[H])(-[H])-[#6@]2(-[H])-[#7](-[H])-[#6](=[#8])-[#7](-[H])-[#6@]-1-2-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[#7:17](-[#6:18])-[H:49]>>[#7:17](-[#6:18])(-[H:49])-[H]

EVODEX.1-C684 - Reaction Operator C

[H]-[#7]1-[#6](=[#8])-[#7](-[H])-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#16]-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:17])-[#6@@]-1-2-[H]>>[H]-[#7:17]

EVODEX.1-N845 - Reaction Operator N

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R6236

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