1,2-Dichloroethane → HCID 9863101, compound
Reaction equation
[CH2:28]([Cl:29])[CH2:30][Cl:31].[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][CH:11]([CH2:14][c:15]3[n:16][c:17]4[c:18]([nH:19]3)[cH:20][cH:21][cH:22][cH:23]4)[CH2:12][CH2:13]2)[cH:24][cH:25][cH:26][cH:27]1.[NH2:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH:32][n:33]1[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[cH:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][CH:11]([CH2:14][c:15]3[nH:16][c:17]4[c:18]([n:19]3)[cH:20][cH:21][cH:22][cH:23]4)[CH2:12][CH2:13]2)[cH:24][cH:25][cH:26][cH:27]1Participants
6
Sources & evidence
- ORD record
- ord-051d7e6682814487aba0da45a0e2b3db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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