1,2-Dichloroethane → HCID 178434893, compound
Reaction equation
[CH2:50]([Cl:51])[CH2:52][Cl:53].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][N:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]=[O:22])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:23][c:24]1[n:25][c:26]([NH:38][NH2:39])[c:27]([F:37])[c:28]([N:30]2[CH2:31][C:32]([OH:35])([CH3:36])[CH2:33][CH2:34]2)[n:29]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:40][n:41]1[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:39][NH:38][c:26]2[n:25][c:24]([Cl:23])[n:29][c:28]([N:30]3[CH2:31][C:32]([OH:35])([CH3:36])[CH2:33][CH2:34]3)[c:27]2[F:37])[CH2:11][N:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]=[O:22])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-80b116cf7a8643298ac9333db3576b69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…