1,2-Dichloroethane → HCID 59730058, compound
Reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:44][C:45](=[O:46])[OH:47].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:12](=[O:13])[c:14]1[cH:15][c:16]([Cl:29])[c:17]([O:18][c:19]2[n:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[cH:27][cH:28]1.[Cl:48][CH2:49][CH2:50][Cl:51].[Na+:43].[c:1]1([CH:7]2[CH2:8][NH:9][CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][N:9]([CH2:12][c:14]3[cH:15][c:16]([Cl:29])[c:17]([O:18][c:19]4[n:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]4)[cH:27][cH:28]3)[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-a48b05757c5b4e9682279f1521cc5b47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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