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EVODEX.1-Nm516

SMIRKS

Operator SMIRKS Rendering

[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15]-[#8]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

Source Partial Reactions

EVODEX.1-P3739

Partial Reaction Rendering

[C:1]([C@:2]12[C:3]([H:52])([H:53])[C:4]([H:54])([H:55])[C@:5]3([H:56])[C:6]4:[C:7]([H:57]):[C:8]([H:58]):[C:9]([O:10][S:11](=[O:12])(=[O:13])[O:14][H:59]):[C:15]([H:60]):[C:16]:4[C:17]([H:61])([H:62])[C:18]([H:63])([H:64])[C@@:19]3([H:65])[C@:20]1([H:66])[C:21]([H:67])([H:68])[C:22]([H:69])([H:70])[C:23]2=[O:24])([H:71])([H:72])[H:73]>>[H][O:10][C:9]1:[C:8]([H:58]):[C:7]([H:57]):[C:6]2:[C:16](:[C:15]:1[H:60])[C:17]([H:61])([H:62])[C:18]([H:63])([H:64])[C@:19]1([H:65])[C@:5]2([H:56])[C:4]([H:54])([H:55])[C:3]([H:52])([H:53])[C@@:2]2([C:1]([H:71])([H:72])[H:73])[C@@:20]1([H:66])[C:21]([H:67])([H:68])[C:22]([H:69])([H:70])[C:23]2=[O:24].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:11](=[O:12])(=[O:13])[O:14][H:59])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P3746

Partial Reaction Rendering

[C:1]([O:2][S:3](=[O:4])(=[O:5])[O:6][H:34])([H:35])([H:36])[H:37]>>[H][O:2][C:1]([H:35])([H:36])[H:37].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:3](=[O:4])(=[O:5])[O:6][H:34])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P3749

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:13][S:14](=[O:15])(=[O:16])[O:17][H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70]>>[H][O:13][C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:68])([H:69])[H:70])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:14](=[O:15])(=[O:16])[O:17][H:45])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P3777

Partial Reaction Rendering

[O:28]=[S:29](=[O:30])([O:31][H:64])[O:32][C:33]1:[C:34]([H:65]):[C:35]2:[O:36]:[C:37]3:[C:38]([H:66]):[C:39]([Cl:40]):[C:41]([Cl:42]):[C:43]([H:67]):[C:44]:3:[C:45]:2:[C:46]([H:68]):[C:47]:1[Cl:48]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:29](=[O:28])(=[O:30])[O:31][H:64])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:32][C:33]1:[C:34]([H:65]):[C:35]2:[O:36]:[C:37]3:[C:38]([H:66]):[C:39]([Cl:40]):[C:41]([Cl:42]):[C:43]([H:67]):[C:44]:3:[C:45]:2:[C:46]([H:68]):[C:47]:1[Cl:48]

EVODEX.1-P3779

Partial Reaction Rendering

[O:28]=[S:29](=[O:30])([O:31][H:63])[O:32][C:33]1:[C:34]([H:64]):[C:35]([H:65]):[C:36]2:[O:37]:[C:38]3:[C:39]([H:66]):[C:40]([Cl:41]):[C:42]([Cl:43]):[C:44]([H:67]):[C:45]:3:[C:46]:2:[C:47]:1[H:68]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:29](=[O:28])(=[O:30])[O:31][H:63])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:32][C:33]1:[C:34]([H:64]):[C:35]([H:65]):[C:36]2:[O:37]:[C:38]3:[C:39]([H:66]):[C:40]([Cl:41]):[C:42]([Cl:43]):[C:44]([H:67]):[C:45]:3:[C:46]:2:[C:47]:1[H:68]