1,2-Dichloroethane → HCID 178433391, compound
Reaction equation
[CH2:43]([Cl:44])[CH2:45][Cl:46].[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.[F:23][c:24]1[c:25]([N:33]([CH2:34][CH2:35][c:36]2[cH:37][cH:38][n:39][cH:40][cH:41]2)[CH3:42])[n:26][c:27]([CH3:32])[n:28][c:29]1[NH:30][NH2:31].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:31][NH:30][c:29]2[c:24]([F:23])[c:25]([N:33]([CH2:34][CH2:35][c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[CH3:42])[n:26][c:27]([CH3:32])[n:28]2)[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-890df2dd469f4efe81ab9c6c7ee4f7d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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