1,2-Dichloroethane → HCID 21302904, compound
Reaction equation
[BH4-:58].[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].[CH3:40][C:41](=[O:42])[OH:43].[CH:32](=[O:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:60][CH2:61][CH2:62][Cl:63].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11]([CH:19]3[CH2:20][CH2:21][CH:22]([N:25]4[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]4)[CH2:23][CH2:24]3)[c:12]3[n:13][cH:14][n:15][c:16]([NH2:18])[c:17]23)[cH:7][cH:8]1.[Na+:57].[Na+:59]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11]([CH:19]3[CH2:20][CH2:21][CH:22]([N:25]4[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]4)[CH2:23][CH2:24]3)[c:12]3[n:13][cH:14][n:15][c:16]([NH2:18])[c:17]23)[cH:7][cH:8]1)[CH2:32][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1Participants
8
Sources & evidence
- ORD record
- ord-8c34caa3378041298dc5f01280e7154c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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