1,2-Dichloroethane → HCID 19812417, compound

HRID 1136812Notes

Reaction equation

HRID 1136812 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:8]([cH:17][c:18]1[N+:19](=[O:20])[O-:21])[CH:9]([OH:16])[CH:10]([Br:15])[C:11]([CH3:13])([CH3:14])[O:12]2.[C:26]([CH3:27])(=[O:28])[S:29][CH2:30][CH:31]([C:32](=[O:33])[Cl:34])[CH3:35].[CH2:22]([Cl:23])[CH2:24][Cl:25].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:8]([cH:17][c:18]1[N+:19](=[O:20])[O-:21])[CH:9]([O:16][C:32]([CH:31]([CH2:30][S:29][C:26]([CH3:27])=[O:28])[CH3:35])=[O:33])[CH:10]([Br:15])[C:11]([CH3:13])([CH3:14])[O:12]2

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 1049PyridineHCID 103458Ethanethioic acid, S-(3-chloro-2-methyl-3-oxopropyl) esterHCID 19812413HCID 19812413, compound

Product 1

HCID 19812417HCID 19812417, compound

Sources & evidence

ORD record
ord-1555aad617a34347be2a80e5b85fb4f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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