Toluene → 4,5-Bis(4-fluorophenyl)-alpha,alpha-bis(trifluoromethyl)-1H-pyrrole-2-methanethiol

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 574767Hexafluorothioacetone

HCID 111079192,3-bis(4-fluorophenyl)-1H-pyrrole

생성물 1

HCID 128733584,5-Bis(4-fluorophenyl)-alpha,alpha-bis(trifluoromethyl)-1H-pyrrole-2-methanethiol

출처 및 근거

ORD 기록: ord-0f43d4fd84254c96b20726e683ccfac2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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