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Methanol → 2-(4-Imidazo[4,5-b]pyridin-3-yl-2-methyl-phenyl)-N-[4-(4-isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-acetamide

HRID 284936
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HRID 284936 반응식
[CH3:45][OH:46].[CH:21]([CH3:22])([CH3:23])[N:24]1[CH2:25][CH2:26][N:27]([CH2:30][c:31]2[c:32]([C:38]([F:39])([F:40])[F:41])[cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[CH2:28][CH2:29]1.[Cl:42][CH2:43][Cl:44].[n:1]1[cH:2][n:3](-[c:10]2[cH:11][c:12]([CH3:20])[c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12>>[n:1]1[cH:2][n:3](-[c:10]2[cH:11][c:12]([CH3:20])[c:13]([CH2:16][C:17](=[O:19])[NH:37][c:34]3[cH:33][c:32]([C:38]([F:39])([F:40])[F:41])[c:31]([CH2:30][N:27]4[CH2:26][CH2:25][N:24]([CH:21]([CH3:22])[CH3:23])[CH2:29][CH2:28]4)[cH:36][cH:35]3)[cH:14][cH:15]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12
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참가 물질

5

반응물 4

HCID 887MethanolHCID 6344DichloromethaneHCID 574314454-(4-Isopropylpiperazin-1-ylmethyl)-3-trifluoromethyl-anilineHCID 67021622(4-Imidazo[4,5-b]pyridin-3-yl-2-methyl-phenyl)-acetic acid

생성물 1

HCID 670216072-(4-Imidazo[4,5-b]pyridin-3-yl-2-methyl-phenyl)-N-[4-(4-isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-acetamide

출처 및 근거

ORD 기록
ord-ae4d2343d1b44bcdb503a626ec6c5085
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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