Phenylacetyl chloride → S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-phenylethanethioate

반응식

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

참가 물질

반응물 3

HCID 7679Phenylacetyl chloride

HCID 8471Triethylamine

HCID 97963281-[(4-Phenoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one

생성물 1

HCID 17817517S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-phenylethanethioate

출처 및 근거

ORD 기록: ord-5aae01f4f0c14ddea1f406764caebc1c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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