(2,4-Difluorophenyl)methanethiol → Ethyl 6-[(2,4-difluorobenzyl)sulfanyl]-1-cyclohexene-1-carboxylate

반응식

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

참가 물질

반응물 2

HCID 2761425(2,4-Difluorophenyl)methanethiol

HCID 9928140ethyl 6-[N-(2,4-difluorophenyl)sulfamoyl]-1-cyclohexene-1-carboxylate

생성물 1

HCID 22026122Ethyl 6-[(2,4-difluorobenzyl)sulfanyl]-1-cyclohexene-1-carboxylate

출처 및 근거

ORD 기록: ord-564d8d147d7443e5acd41f8d6f545f76
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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