Tetrahydrofuran → 4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-3,5-dimethyl-benzonitrile

HRID 301771

반응식

HRID 301771 반응식
[CH3:28][c:29]1[cH:30][c:31]([C:32]#[N:33])[cH:34][c:35]([CH3:38])[c:36]1[OH:37].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][OH:15])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]3)[cH:6][cH:7]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][O:15][c:36]2[c:29]([CH3:28])[cH:30][c:31]([C:32]#[N:33])[cH:34][c:35]2[CH3:38])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]3)[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 201763,5-Dimethyl-4-hydroxybenzonitrileHCID 666193102-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol

생성물 1

HCID 666195034-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-3,5-dimethyl-benzonitrile

출처 및 근거

ORD 기록
ord-9e2a76f79fba4b88bf0472444474f018
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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