1,2-Dichloroethane → HCID 178440751, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH:13]([CH:14]=[CH:15][CH3:16])[c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:21][cH:22]1.[CH2:30]([Cl:31])[CH2:32][Cl:33].[Cl:51][CH2:52][Cl:53].[ClH:44].[F:45][CH:46]1[CH2:47][NH:48][CH2:49][CH2:50]1.[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:48]1[CH2:47][CH:46]([F:45])[CH2:50][CH2:49]1)[CH:13]([CH:14]=[CH:15][CH3:16])[c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:21][cH:22]1Participants
7
Sources & evidence
- ORD record
- ord-1b7beeec0b2e44a6a969cca682c8df4f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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