Chloride → HCID 13648724, compound

HRID 185406Notes

Reaction equation

HRID 185406 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[cH:24][cH:25][c:26]([CH2:27][SH:28])[cH:29][cH:30]1.[C:6]([CH3:7])([CH3:8])([CH3:9])[n:10]1[n:11][cH:12][c:13]([Br:18])[c:14]([Br:17])[c:15]1=[O:16].[CH2:33]([N+:34]([CH2:35][CH3:36])([CH2:37][CH3:38])[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH3:46].[Cl-:32].[Cl:3][CH2:4][Cl:5].[Na+:2].[OH-:1].[OH2:31]>>[C:6]([CH3:7])([CH3:8])([CH3:9])[n:10]1[n:11][cH:12][c:13]([S:28][CH2:27][c:26]2[cH:25][cH:24][c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:30][cH:29]2)[c:14]([Br:17])[c:15]1=[O:16]

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 17208BenzyltriethylammoniumHCID 27572524-tert-Butylbenzyl mercaptanHCID 13852600HCID 13852600, compound

Product 1

HCID 13648724HCID 13648724, compound

Sources & evidence

ORD record
ord-10b5367bdbd943438fce0e3ad075500b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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