1,2-Dichloroethane → HCID 178520235, compound

HRID 2336707Notes

Reaction equation

HRID 2336707 reaction equation
[CH2:26]([Cl:27])[CH2:28][Cl:29].[CH3:40][S:41]([CH3:42])=[O:43].[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1.[nH:11]1[c:12](-[c:20]2[n:21][nH:22][cH:23][c:24]2[NH2:25])[n:13][c:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19]2>>[C:2](=[O:3])([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:25][c:24]1[c:20](-[c:12]2[n:11][c:15]3[c:14]([nH:13]2)[cH:19][cH:18][cH:17][cH:16]3)[n:21][nH:22][cH:23]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 679Dimethyl SulfoxideHCID 999Phenylacetic AcidHCID 757711-HydroxybenzotriazoleHCID 178508052HCID 178508052, compound

Product 1

HCID 178520235HCID 178520235, compound

Sources & evidence

ORD record
ord-940f053f3bd245549076accb8c64e018
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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