Benzhydrylpiperazine → Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanylacetyl]amino]-5-chlorobenzoate

HRID 166918Notes

Reaction equation

HRID 166918 reaction equation
[CH:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[Cl:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[O:19][CH3:20])[c:5]([NH:8][C:9]([CH2:10][S:11][CH2:12][C:13](=[O:14])[OH:15])=[O:16])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[O:19][CH3:20])[c:5]([NH:8][C:9]([CH2:10][S:11][CH2:12][C:13](=[O:15])[N:37]2[CH2:36][CH2:35][N:34]([CH:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:39][CH2:38]2)=[O:16])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 70048BenzhydrylpiperazineHCID 51040153[(2-([4-Chloro-2-(methoxycarbonyl)phenyl]amino)-2-oxoethyl)sulfanyl]acetic acid

Product 1

HCID 51040803Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanylacetyl]amino]-5-chlorobenzoate

Sources & evidence

ORD record
ord-22619dc8e241465e9faa58f140546a5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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