1,2-Dichloroethane → HCID 86618380, compound
Reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:20][S:21](=[O:22])(=[O:23])[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:30][O:31][CH:32]([O:33][CH3:34])[O:35][CH3:36].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][CH:12]=[O:13])[s:10]2.[Cl:51][CH2:52][CH2:53][Cl:54].[Na+:50]>>[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][CH2:12][N:27]1[CH2:26][CH2:25][N:24]([S:21]([CH3:20])(=[O:22])=[O:23])[CH2:29][CH2:28]1)[s:10]2Participants
7
Sources & evidence
- ORD record
- ord-11f3e3a0666e412f94172b583a422ad4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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