EVODEX.1-P592

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:22]([N:21]([C:19]([C@@:16]([N:15]([C:13]([C:12]([C:11]([C@:10]([N:9]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([C:8]([H:43])([H:44])[H:45])[H:62])[H:61])([C:26](=[O:27])[O:28][H:59])[H:60])([H:57])[H:58])([H:55])[H:56])=[O:14])[H:54])([C:17]([S:18][H:46])([H:47])[H:48])[H:53])=[O:20])[H:52])([C:23](=[O:24])[O:25][H:49])[H:50].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])[H:81].[O:41]=[O:42]>>[H][O:41][C:22]([N:21]([C:19]([C@@:16]([N:15]([C:13]([C:12]([C:11]([C@:10]([N:9]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([C:8]([H:43])([H:44])[H:45])[H:62])[H:61])([C:26](=[O:27])[O:28][H:59])[H:60])([H:57])[H:58])([H:55])[H:56])=[O:14])[H:54])([C:17]([S:18][H:46])([H:47])[H:48])[H:53])=[O:20])[H:52])([C:23](=[O:24])[O:25][H:49])[H:50].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])([H:81])[C:37](=[O:38])[C:39]1=[O:40].[H][O:42][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E300 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H].[#8:31]=[#8:32]>>[#7:8]-[#6:9](-[#6:10])(-[#8:31]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30].[#8:32](-[H])-[H]

EVODEX.1-C221 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:25].([H]-[#8:38].[#8:40]-[H]).[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25].([#8:38].[#8:40]).[H]-[#8:42]-[H]

EVODEX.1-N199 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[#7:24])(-[#6:26])-[H:53].[H]-[#8:38]-[#6:37]=[#6:39]-[#8:40]-[H].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])(-[#6:26])-[H:53].[#6:37](=[#8:38])-[#6:39]=[#8:40].[H]-[#8:42]-[H]

EVODEX.1-Em281 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:38]-[#6:37]=[#6:39](-[#8:40]-[H])-[#6:30]=[#8:29].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])-[#6:26].[#8:29]=[#6:30]-[#6:39](-[#6:37]=[#8:38])=[#8:40].[H]-[#8:42]-[H]

EVODEX.1-Cm199 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:25].([H]-[#8:38].[#8:40]-[H]).[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25].([#8:38].[#8:40]).[H]-[#8:42]-[H]

EVODEX.1-Nm279 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:38]-[#6:37]=[#6:39]-[#8:40]-[H].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])-[#6:26].[#6:37](=[#8:38])-[#6:39]=[#8:40].[H]-[#8:42]-[H]

Source Full Reactions

EVODEX.1-R558

Full Reaction Rendering

[H][C:22]([N:21]([C:19]([C@@:16]([N:15]([C:13]([C:12]([C:11]([C@:10]([N:9]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([C:8]([H:43])([H:44])[H:45])[H:62])[H:61])([C:26](=[O:27])[O:28][H:59])[H:60])([H:57])[H:58])([H:55])[H:56])=[O:14])[H:54])([C:17]([S:18][H:46])([H:47])[H:48])[H:53])=[O:20])[H:52])([C:23](=[O:24])[O:25][H:49])[H:50].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])[H:81].[O:41]=[O:42]>>[H][O:41][C:22]([N:21]([C:19]([C@@:16]([N:15]([C:13]([C:12]([C:11]([C@:10]([N:9]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([C:8]([H:43])([H:44])[H:45])[H:62])[H:61])([C:26](=[O:27])[O:28][H:59])[H:60])([H:57])[H:58])([H:55])[H:56])=[O:14])[H:54])([C:17]([S:18][H:46])([H:47])[H:48])[H:53])=[O:20])[H:52])([C:23](=[O:24])[O:25][H:49])[H:50].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:76])([C:35]([O:36][H:77])([H:78])[H:79])[H:80])([H:81])[C:37](=[O:38])[C:39]1=[O:40].[H][O:42][H]