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Hydroxide → 2-(1-{[2-chloro-4-(4-fluorophenyl)quinolin-7-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,1,1-trifluorobutan-2-ol

HRID 1231689
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HRID 1231689 반응식
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[Li+:45].[N+:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:10][C:11]([CH2:12][CH3:13])([C:14]([F:15])([F:16])[F:17])[c:18]2[n:19][n:20][n:21]([CH2:23][c:24]3[cH:25][cH:26][c:27]4[c:28](-[c:35]5[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]5)[cH:29][c:30]([Cl:34])[n:31][c:32]4[cH:33]3)[cH:22]2)[cH:8][cH:9]1)([O-:42])=[O:43].[OH-:44]>>[OH:10][C:11]([CH2:12][CH3:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[n:19][n:20][n:21]([CH2:23][c:24]2[cH:25][cH:26][c:27]3[c:28](-[c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]4)[cH:29][c:30]([Cl:34])[n:31][c:32]3[cH:33]2)[cH:22]1
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참가 물질

5

반응물 4

HCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 866219831-(1-{[2-chloro-4-(4-fluorophenyl)quinolin-7-yl]methyl}-1H-1,2,3-triazol-4-yl)-1-(trifluoromethyl)propyl 4-nitrobenzoate

생성물 1

HCID 250553122-(1-{[2-chloro-4-(4-fluorophenyl)quinolin-7-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,1,1-trifluorobutan-2-ol

출처 및 근거

ORD 기록
ord-33cd28fb054249da9ad74df44a39d040
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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