3,4-Dichlorophenyl isocyanate → HCID 18788135, compound
Reaction equation
[C:45]([O:46][C:47]([CH2:48][N:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[CH2:56][CH2:57][CH2:58][NH:59][CH2:60][C:61]1=[O:62])=[O:63])([CH3:64])([CH3:65])[CH3:66].[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[N:19]1[C:20](=[O:34])[CH2:21][NH:22][CH2:23][CH2:24][CH:25]([CH2:32][CH3:33])[c:26]2[c:27]1[cH:28][cH:29][cH:30][cH:31]2.[Cl:1][c:2]1[cH:3][c:4]([N:9]=[C:10]=[O:11])[cH:5][cH:6][c:7]1[Cl:8].[c:35]1([CH3:36])[cH:37][cH:38][cH:39][c:40]([N:41]=[C:42]=[O:43])[cH:44]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[N:22]2[CH2:21][C:20](=[O:34])[N:19]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[c:27]3[c:26]([cH:31][cH:30][cH:29][cH:28]3)[CH:25]([CH2:32][CH3:33])[CH2:24][CH2:23]2)[cH:5][cH:6][c:7]1[Cl:8]Participants
5
Sources & evidence
- ORD record
- ord-0ba0e8060cd3413fb1df713206dd0310
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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