1,2-Dichloroethane → HCID 86603114, compound
Reaction equation
[BH4-:25].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12]1.[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH3:44][OH:45].[Cl:13][c:14]1[cH:15][cH:16][c:17]([N:20]([CH2:21][CH2:22][NH2:23])[CH3:24])[cH:18][cH:19]1.[ClH:43].[Na+:26].[nH:27]1[cH:28][cH:29][c:30]2[cH:31][cH:32][cH:33][c:34]([C:36](=[O:37])[OH:38])[c:35]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:23]([CH2:22][CH2:21][N:20]([c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]2)[CH3:24])[C:36]([c:34]2[cH:33][cH:32][cH:31][c:30]3[cH:29][cH:28][nH:27][c:35]32)=[O:37])[cH:11][cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-fa46fe399d1844c48ba4841166437147
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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