1,2-Dichloroethane → HCID 76167728, compound
Reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:36][NH:37][CH3:38].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8].[Cl:60][CH2:61][CH2:62][Cl:63].[ClH:35].[Na+:52]>>[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][CH:31]([N:37]([CH3:36])[CH3:38])[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8]Participants
8
Sources & evidence
- ORD record
- ord-4f23cb36bfbe4c0db975a52ff359c1e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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