Ethanol → [3-Cyclopropyl-5-pyrimidin-5-yl-2-(3-trifluoromethoxy-phenyl)-3H-imidazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 57541111[3-Cyclopropyl-5-(2-methylsulfanyl-pyrimidin-5-yl)-2-(3-trifluoromethoxy-phenyl)-3H-imidazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

생성물 1

HCID 57541174[3-Cyclopropyl-5-pyrimidin-5-yl-2-(3-trifluoromethoxy-phenyl)-3H-imidazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

출처 및 근거

ORD 기록: ord-3ddc3683b1874a7da0d54edc9865abf3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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