Dimethyl Sulfoxide → N-[2-Chloro-5-(2'-methylamino-[3,4']bipyridinyl-2-yloxy)-phenyl]-2-(3-dimethylamino-pyrrolidin-1-yl)-5-trifluoromethyl-benzamide

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 27585193-(Dimethylamino)pyrrolidine

HCID 58588060HCID 58588060, 화합물

생성물 1

HCID 66970539N-[2-Chloro-5-(2'-methylamino-[3,4']bipyridinyl-2-yloxy)-phenyl]-2-(3-dimethylamino-pyrrolidin-1-yl)-5-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-0f566c1e7d404a858b96a5c11cfcf1e6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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