1,2-Dichloroethane → HCID 178491824, compound
Reaction equation
[C:35]([CH3:36])(=[O:37])[N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8].[Cl:58][CH2:59][CH2:60][Cl:61].[Na+:57]>>[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][CH:31]([N:41]6[CH2:40][CH2:39][N:38]([C:35]([CH3:36])=[O:37])[CH2:43][CH2:42]6)[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8]Participants
6
Sources & evidence
- ORD record
- ord-5608ffc6bc844e04b9ea582e46a36601
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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