1,2-Dichloroethane → HCID 178443182, compound
Reaction equation
[C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])(=[O:25])[O:26][CH:27]([CH2:28][C:29](=[O:30])[OH:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH2:11])[CH2:12][OH:13])=[O:14].[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:47][I:48].[Cl:49][CH2:50][Cl:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:29]([CH2:28][CH:27]([O:26][C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])=[O:30])[CH2:12][OH:13])=[O:14]Participants
6
Sources & evidence
- ORD record
- ord-3d2a1e162d0c43ed8fd83561f9062b50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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