Chloride → 6-Hydroxy-3-[3-hydroxy-4-[(1-pyrrolidinyl)methyl]benzyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophene

HRID 1200775Notes

Reaction equation

HRID 1200775 reaction equation
[Al+3:44].[CH2:40]([SH:41])[CH3:42].[Cl-:43].[Cl-:45].[Cl-:46].[Cl:47][CH:48]([Cl:49])[CH3:50].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][N:34]4[CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:29][cH:30]3)[c:9]2[CH2:10][c:11]2[cH:12][c:13]([O:23][CH3:24])[c:14]([CH2:17][N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:39]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][N:34]4[CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:29][cH:30]3)[c:9]2[CH2:10][c:11]2[cH:12][c:13]([OH:23])[c:14]([CH2:17][N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:39]1

Participants

6

Reactant 5

HCID 312Chloride3×HCID 6343EthanethiolHCID 63651,1-DichloroethaneHCID 104727Aluminum CationHCID 104824786-Hydroxy-3-(3-methoxy-4-((1-pyrrolidinyl)methyl)benzyl)-2-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)benzo(b)thiophene

Product 1

HCID 211826926-Hydroxy-3-[3-hydroxy-4-[(1-pyrrolidinyl)methyl]benzyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophene

Sources & evidence

ORD record
ord-abb831c89c57438caca3d10714098990
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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