Chloride → 3-[n-(p-Chlorobenzyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

HRID 290648Notes

Reaction equation

HRID 290648 reaction equation
[Al+3:46].[CH2:42]([SH:43])[CH3:44].[Cl-:45].[Cl-:47].[Cl-:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:33][C:34]([C:35](=[O:36])[OH:37])([CH3:38])[CH3:39])[c:9]([S:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:40][cH:41]1.[Cl:50][CH2:51][Cl:52].[ClH:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:33][C:34]([C:35](=[O:36])[OH:37])([CH3:38])[CH3:39])[cH:9][c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:40][cH:41]1

Participants

7

Reactant 6

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 6343EthanethiolHCID 6344DichloromethaneHCID 60923QuiflaponHCID 104727Aluminum Cation

Product 1

HCID 189476213-[n-(p-Chlorobenzyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

Sources & evidence

ORD record
ord-7c226bf9590c412d8f5ab7729bac7c01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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