Dimethylformamide → {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-methyl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanone

HRID 188283

반응식

HRID 188283 반응식
[Br:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]1.[F:17][C:18]([c:19]1[cH:20][c:21]([CH2:22][n:23]2[n:24][n:25][c:26]([Sn:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[c:27]2[CH3:28])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[c:2]1(-[c:26]2[n:25][n:24][n:23]([CH2:22][c:21]3[cH:20][c:19]([C:18]([F:17])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[c:27]2[CH3:28])[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]1

참가 물질

4

반응물 3

HCID 6228DimethylformamideHCID 85882881(2-Bromopyridin-3-yl)-(2-chlorophenyl)methanoneHCID 866012501-(3,5-bis-trifluoromethyl-benzyl)-5-methyl-4-tributylstannanyl-1H-[1,2,3]triazole

생성물 1

HCID 59644543{2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-methyl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanone

출처 및 근거

ORD 기록
ord-8bbd50b55e27487499e2c26fe38cfcd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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