4-Fluorobenzyl bromide → ethyl 5-(1-(2-cyclopropylethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methylthiophene-2-carboxylate

반응식

[CH3:10][c:11]1[cH:12][cH:13][c:14]([S:15]([O:16][CH2:21][CH2:22][CH:23]2[CH2:24][CH2:25]2)(=[O:17])=[O:18])[cH:19][cH:20]1.[CH3:26][c:27]1[c:28]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[s:29][c:30](-[n:32]2[cH:33][n:34][nH:35][c:36]2=[O:37])[cH:31]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][Br:7])[cH:8][cH:9]1>>[CH2:21]([CH2:22][CH:23]1[CH2:24][CH2:25]1)[n:35]1[n:34][cH:33][n:32](-[c:30]2[s:29][c:28]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:27]([CH3:26])[cH:31]2)[c:36]1=[O:37]

참가 물질

반응물 3

HCID 680214-Fluorobenzyl bromide

HCID 13568392Toluene-4-sulfonic acid 2-cyclopropyl-ethyl ester

HCID 59481255ethyl 3-methyl-5-(5-oxo-1H-1,2,4-triazol-4(5H)-yl)thiophene-2-carboxylate

생성물 1

HCID 58031435ethyl 5-(1-(2-cyclopropylethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methylthiophene-2-carboxylate

출처 및 근거

ORD 기록: ord-3fde13d6b88b4394b48ee23c95540ed9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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