Dichloromethane → 5-[6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

HRID 299273

반응식

HRID 299273 반응식
[CH2:37]([CH:38]([CH3:39])[CH3:40])[N:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:1][S:2]([O:3][CH2:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13][cH:14][n:15]2-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)(=[O:4])=[O:5].[Cl:47][CH2:48][Cl:49]>>[CH2:6]([c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13][cH:14][n:15]2-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)[N:44]1[CH2:43][CH2:42][N:41]([CH2:37][CH:38]([CH3:39])[CH3:40])[CH2:46][CH2:45]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 20520521-(2-Methylpropyl)piperazineHCID 86647104[1-(5-carbamoyl-4-{1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thienyl)-1H-imidazo[4,5-c]pyridin-6-yl]methyl methanesulfonate

생성물 1

HCID 1784485555-[6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

출처 및 근거

ORD 기록
ord-85d1cf51e7324a0a916381cc11bb2fd1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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