1,2-Dichloroethane → HCID 11597881, compound
Reaction equation
[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:29])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([CH2:15][CH3:16])[c:17]2[o:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[cH:25]3)[cH:10][cH:11]1)=[O:30])([CH3:31])[CH3:32].[CH3:38][NH:39][CH3:40].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[Cl:41][CH2:42][Cl:43].[ClH:37]>>[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:29])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([CH2:15][CH3:16])[c:17]2[o:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][c:24]([C:26](=[O:28])[N:39]([CH3:38])[CH3:40])[cH:25]3)[cH:10][cH:11]1)=[O:30])([CH3:31])[CH3:32]Participants
7
Sources & evidence
- ORD record
- ord-0022adcfedd046b5a3d1d7234500c455
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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