1,2-Dichloroethane → HCID 20609795, compound
Reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([CH2:41][CH2:42][CH2:43][CH:44]=[O:45])[C:37](=[O:40])[CH2:38][CH2:39]1.[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][CH:13]([CH3:14])[NH:15][CH2:16][CH2:17][CH3:18])[cH:10][cH:11]1.[Cl:60][CH2:61][CH2:62][Cl:63].[ClH:1].[Na+:59]>>[CH3:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][CH:13]([CH3:14])[N:15]([CH2:16][CH2:17][CH3:18])[CH2:44][CH2:43][CH2:42][CH2:41][N:36]2[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:39][CH2:38][C:37]2=[O:40])[cH:10][cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-30d1d2f10ecf4dfa99f994d999b37c96
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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