1,2-Dichloroethane → HCID 152880027, compound
Reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:31]=[O:32].[Cl:1][c:2]1[c:3]([CH2:8][CH2:9][CH:10]2[CH2:11][N:12]([C:16]3=[N:17][c:18]4[c:19]([cH:27][cH:28][cH:29][cH:30]4)[NH:20][c:21]4[s:22][c:23]([CH3:26])[cH:24][c:25]43)[CH2:13][CH2:14][NH:15]2)[cH:4][cH:5][cH:6][cH:7]1.[Cl:47][CH2:48][CH2:49][Cl:50].[Na+:46]>>[Cl:1][c:2]1[c:3]([CH2:8][CH2:9][CH:10]2[CH2:11][N:12]([C:16]3=[N:17][c:18]4[c:19]([cH:27][cH:28][cH:29][cH:30]4)[NH:20][c:21]4[s:22][c:23]([CH3:26])[cH:24][c:25]43)[CH2:13][CH2:14][N:15]2[CH3:33])[cH:4][cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-e0a1961ea03445f1a045a95152b78a27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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