Dimethylformamide → 4-(2,4-Dichlorophenyl)-2-(1-propylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 92571H-1,2,4-Triazole

HCID 540874812-(2,4-Dichlorophenylethenyl)-2-(1-propylmercaptocyclopropyl) oxirane

생성물 1

HCID 538088734-(2,4-Dichlorophenyl)-2-(1-propylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol

출처 및 근거

ORD 기록: ord-82bfc4ab3a7847b2a57ed9d95bf7558d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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