1,2-Dichloroethane → HCID 178446456, compound

HRID 1136178Notes

Reaction equation

HRID 1136178 reaction equation
[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][OH:63].[Cl:53][CH2:54][Cl:55].[OH:1][CH:2]1[CH2:3][N:4]([S:18](=[O:19])(=[O:20])[c:21]2[n:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:5][CH2:6][CH2:7][CH:8]1[NH:9][C:10]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[NH2:16])=[O:17].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1.[o:41]1[c:42]([C:50](=[O:51])[OH:52])[cH:43][c:44]2[c:45]1[cH:46][cH:47][cH:48][cH:49]2>>[OH:1][CH:2]1[CH2:3][N:4]([S:18](=[O:19])(=[O:20])[c:21]2[n:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:5][CH2:6][CH2:7][CH:8]1[NH:9][C:10]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[NH:16][C:50]([c:42]1[o:41][c:45]2[c:44]([cH:43]1)[cH:49][cH:48][cH:47][cH:46]2)=[O:51])=[O:17]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 887MethanolHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 10331Benzofuran-2-carboxylic acidHCID 757711-HydroxybenzotriazoleHCID 72811913HCID 72811913, compound

Product 1

HCID 178446456HCID 178446456, compound

Sources & evidence

ORD record
ord-0bdb260c8bfc426b9cf804489b6de10c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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