EVODEX.1-P4831 - Partial Reaction

SMIRKS

[H]N([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:12]([C:13]1:[C:14]([H:54]):[C:15]([H:55]):[C:16]2:[C:17](:[C:18]:1[H:56])[O:19][C:20]1:[C:21]([H:57]):[C:22]([N:23]([C:24](=[O:25])[C:26]3:[C:27]([H:58]):[C:28]([H:59]):[C:29]([C:30]([Cl:31])([H:60])[H:61]):[C:32]([H:62]):[C:33]:3[H:63])[H:64]):[C:34]([H:65]):[C:35]([H:66]):[C:36]:1[C:37]21[O:38][C:39](=[O:40])[C:41]2:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:21)[H:71]>>[H][N:12]([C:13]1:[C:14]([H:54]):[C:15]([H:55]):[C:16]2:[C:17](:[C:18]:1[H:56])[O:19][C:20]1:[C:21]([H:57]):[C:22]([N:23]([C:24](=[O:25])[C:26]3:[C:27]([H:58]):[C:28]([H:59]):[C:29]([C:30]([Cl:31])([H:60])[H:61]):[C:32]([H:62]):[C:33]:3[H:63])[H:64]):[C:34]([H:65]):[C:35]([H:66]):[C:36]:1[C:37]21[O:38][C:39](=[O:40])[C:41]2:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:21)[H:71]

Derived Operators

EVODEX.1-F482 - Elemental Balance

C	-7
O	-2
N	-2
H	-10

EVODEX.1-M459 - Mass Difference

-154.07430000000002

EVODEX.1-E1298 - Reaction Operator E

[#7](-[#6](-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7:12](-[#6:13])-[H:83])-[H])(-[H])-[H])(-[H])-[H]>>[#7:12](-[#6:13])(-[H:83])-[H]

EVODEX.1-C587 - Reaction Operator C

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:12]>>[H]-[#7:12]

EVODEX.1-N743 - Reaction Operator N

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:12](-[#6:13])-[H:71]>>[H]-[#7:12](-[#6:13])-[H:71]

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-R5630

[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:48])([H:49])[C:7]([H:50])([H:51])[C:8]([H:52])([H:53])[C@:9]1([C:10](=[O:11])[N:12]([C:13]1:[C:14]([H:54]):[C:15]([H:55]):[C:16]2:[C:17](:[C:18]:1[H:56])[O:19][C:20]1:[C:21]([H:57]):[C:22]([N:23]([C:24](=[O:25])[C:26]3:[C:27]([H:58]):[C:28]([H:59]):[C:29]([C:30]([Cl:31])([H:60])[H:61]):[C:32]([H:62]):[C:33]:3[H:63])[H:64]):[C:34]([H:65]):[C:35]([H:66]):[C:36]:1[C:37]21[O:38][C:39](=[O:40])[C:41]2:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:21)[H:71])[H:72])([H:73])[H:74])([H:75])[H:76].[H][O:47][H:77]>>[H][N:12]([C:13]1:[C:14]([H:54]):[C:15]([H:55]):[C:16]2:[C:17](:[C:18]:1[H:56])[O:19][C:20]1:[C:21]([H:57]):[C:22]([N:23]([C:24](=[O:25])[C:26]3:[C:27]([H:58]):[C:28]([H:59]):[C:29]([C:30]([Cl:31])([H:60])[H:61]):[C:32]([H:62]):[C:33]:3[H:63])[H:64]):[C:34]([H:65]):[C:35]([H:66]):[C:36]:1[C:37]21[O:38][C:39](=[O:40])[C:41]2:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:21)[H:71].[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:48])([H:49])[C:7]([H:50])([H:51])[C:8]([H:52])([H:53])[C@:9]1([C:10](=[O:11])[O:47][H:77])[H:72])([H:73])[H:74])([H:75])[H:76]