1,2-Dichloroethane → HCID 178425813, compound

HRID 689027Notes

Reaction equation

HRID 689027 reaction equation
[CH2:19]([Cl:20])[CH2:21][Cl:22].[CH2:44]([N:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1)[CH3:51].[CH3:34][c:35]1[cH:36][cH:37][c:38]([C:41](=[O:42])[OH:43])[cH:39][n:40]1.[Cl:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH:13]([CH3:18])[CH2:14][NH:15][CH2:16][CH2:17]2)[cH:7][cH:8]1.[Cl:52][CH2:53][Cl:54].[ClH:1].[OH2:33].[OH2:55].[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH:13]([CH3:18])[CH2:14][N:15]([C:41]([c:38]3[cH:37][cH:36][c:35]([CH3:34])[n:40][cH:39]3)=[O:42])[CH2:16][CH2:17]2)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962Water2×HCID 6344DichloromethaneHCID 7525EthylmorpholineHCID 757711-HydroxybenzotriazoleHCID 1378606-Methylnicotinic acidHCID 55104959HCID 55104959, compound

Product 1

HCID 178425813HCID 178425813, compound

Sources & evidence

ORD record
ord-f2cf474be32f400a9d200e659697d437
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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