1,2-Dichloroethane → HCID 69652076, compound

HRID 289715Notes

Reaction equation

HRID 289715 reaction equation
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:5][c:6]1[c:7](-[n:13]2[n:14][c:15]([CH2:21][O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:16]([C:18](=[O:19])[OH:20])[n:17]2)[c:8]([Cl:12])[cH:9][cH:10][cH:11]1.[NH2:29][c:30]1[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38][cH:39]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Cl:5][c:6]1[c:7](-[n:13]2[n:14][c:15]([CH2:21][O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:16]([C:18](=[O:19])[NH:29][c:30]3[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38][cH:39]3)[n:17]2)[c:8]([Cl:12])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 78274Benzoic acid, 3-amino-, methyl esterHCID 21957570HCID 21957570, compound

Product 1

HCID 69652076HCID 69652076, compound

Sources & evidence

ORD record
ord-9c9137137fc441ff9f8749402ed8b737
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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