1,2-Dichloroethane → HCID 67125796, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH:15]=[O:16])[CH2:12][CH2:13]1)=[O:17].[CH3:42][OH:43].[Cl:38][CH2:39][CH2:40][Cl:41].[N:18]1([c:24]2[n:25][cH:26][cH:27][c:28]3[c:29]2[cH:30][cH:31][o:32]3)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[Na+:37].[O-:33][C:34]([OH:35])=[O:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][N:21]2[CH2:20][CH2:19][N:18]([c:24]3[n:25][cH:26][cH:27][c:28]4[c:29]3[cH:30][cH:31][o:32]4)[CH2:23][CH2:22]2)[CH2:12][CH2:13]1)=[O:17]Participants
7
Sources & evidence
- ORD record
- ord-d78c2a48301044f7a74f39c6e3b665b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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