Benzene, 1-chloro-3-isocyanato- → HCID 70496752, compound
Reaction equation
[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:39][c:40]1[cH:41][c:42]([N:46]=[C:47]=[O:48])[cH:43][cH:44][cH:45]1.[NH2:1][c:2]1[cH:3][c:4]([F:29])[c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:16]2[CH2:15][N:14]([CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[C:13](=[O:26])[NH:12]3)[cH:27][cH:28]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[NH:1]([c:2]1[cH:3][c:4]([F:29])[c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:16]2[CH2:15][N:14]([CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[C:13](=[O:26])[NH:12]3)[cH:27][cH:28]1)[C:47]([NH:46][c:42]1[cH:41][c:40]([Cl:39])[cH:45][cH:44][cH:43]1)=[O:48]Participants
5
Sources & evidence
- ORD record
- ord-d64fe5541f9d452d8b4f0dbce41c143a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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