Benzenemethanamine, 3,4-dichloro- → HCID 67265859, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:22](=[O:23])[OH:24])[n:21]1)[CH2:15]2.[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[Cl:25][c:26]1[cH:27][c:28]([CH2:29][NH2:30])[cH:31][cH:32][c:33]1[Cl:34].[Cl:65][CH2:66][Cl:67].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:22](=[O:23])[NH:30][CH2:29][c:28]3[cH:27][c:26]([Cl:25])[c:33]([Cl:34])[cH:32][cH:31]3)[n:21]1)[CH2:15]2Participants
7
Sources & evidence
- ORD record
- ord-779262967dfa4f21b4e3d76c0fc6cdd3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…