1,2-Dichloroethane → HCID 797770, compound
Reaction equation
[CH2:45]([Cl:46])[CH2:47][Cl:48].[CH3:15][O:16][C:17]([c:18]1[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]1)=[O:25].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][C:10](=[O:12])[NH:24][c:20]2[cH:19][c:18]([C:17]([O:16][CH3:15])=[O:25])[cH:23][cH:22][cH:21]2)[cH:13][cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-fb0608c53e3e4bf9a7275f12c97aecc2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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