Benzene → HCID 86641345, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9]1=[N:18][S:17][CH2:16][c:15]2[c:11]3[c:10]1[n:26][n:25]([CH2:27][c:28]1[n:29][cH:30][c:31]([CH3:37])[c:32]([O:35][CH3:36])[c:33]1[CH3:34])[n:24][c:12]-3[cH:13][c:14]2[CH2:19][C:20]([O:21][CH3:22])=[O:23])[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[c:45]1([P:46]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)(=[O:55])[N:59]=[N+:47]=[N-:48])[cH:56][cH:57][cH:58][cH:60][cH:61]1.[cH:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9]1=[N:18][S:17][CH2:16][c:15]2[c:11]3[c:10]1[n:26][n:25]([CH2:27][c:28]1[n:29][cH:30][c:31]([CH3:37])[c:32]([O:35][CH3:36])[c:33]1[CH3:34])[n:24][c:12]-3[cH:13][c:14]2[CH2:19][NH2:59])[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44]Participants
5
Sources & evidence
- ORD record
- ord-3fd99d6c89084d54b21df403075129f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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