EVODEX.1-P4829 - 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:50]):[C:15]([H:51]):[C:16]2:[C:17](:[C:18]:1[H:52])[O:19][C:20]1:[C:21]([H:53]):[C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([C:28]([Cl:29])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]:1[C:33]21[O:34][C:35](=[O:36])[C:37]2:[C:38]([H:63]):[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]:21)[H:67]>>[H][N:12]([C:13]1:[C:14]([H:50]):[C:15]([H:51]):[C:16]2:[C:17](:[C:18]:1[H:52])[O:19][C:20]1:[C:21]([H:53]):[C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([C:28]([Cl:29])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]:1[C:33]21[O:34][C:35](=[O:36])[C:37]2:[C:38]([H:63]):[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]:21)[H:67]

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-R5628

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