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Acetone → ethyl 2-(1-(2-cyclopropylethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxylate

HRID 177265
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반응식

HRID 177265 반응식
[C:18](=[O:19])([O-:20])[O-:21].[CH3:1][c:2]1[n:3][c:4](-[n:12]2[cH:13][n:14][nH:15][c:16]2=[O:17])[s:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11].[CH3:24][c:25]1[cH:26][cH:27][c:28]([S:29]([O:30][CH2:35][CH2:36][CH:37]2[CH2:38][CH2:39]2)(=[O:31])=[O:32])[cH:33][cH:34]1.[CH3:40][C:41](=[O:42])[CH3:43].[K+:22].[K+:23]>>[CH3:1][c:2]1[n:3][c:4](-[n:12]2[cH:13][n:14][n:15]([CH2:35][CH2:36][CH:37]3[CH2:38][CH2:39]3)[c:16]2=[O:17])[s:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11]
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참가 물질

6

반응물 5

HCID 180AcetoneHCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 13568392Toluene-4-sulfonic acid 2-cyclopropyl-ethyl esterHCID 57920013ethyl 4-methyl-2-(5-oxo-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylate

생성물 1

HCID 66661569ethyl 2-(1-(2-cyclopropylethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxylate

출처 및 근거

ORD 기록
ord-0ca14a8ea69242fcbd7add69f188f32d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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