Water → HCID 24970224, 화합물

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[Br:1][c:2]1[c:3]([O:4][CH:5]2[CH2:6][CH2:7][N:8]([c:11]3[n:12][cH:13][c:14](-[c:17]4[n:18][n:19][n:20]([CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[n:21]4)[n:15][cH:16]3)[CH2:9][CH2:10]2)[cH:30][c:31]([F:34])[cH:32][cH:33]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[OH2:42]>>[Br:1][c:2]1[c:3]([O:4][CH:5]2[CH2:6][CH2:7][N:8]([c:11]3[n:12][cH:13][c:14](-[c:17]4[n:18][n:19][n:20]([CH2:22][C:23](=[O:24])[OH:25])[n:21]4)[n:15][cH:16]3)[CH2:9][CH2:10]2)[cH:30][c:31]([F:34])[cH:32][cH:33]1

참가 물질

반응물 3

HCID 962Water

HCID 6422Trifluoroacetic acid

HCID 86621799tert-butyl (5-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrazin-2-yl}-2H-tetrazol-2-yl)acetate

생성물 1

HCID 24970224HCID 24970224, 화합물

출처 및 근거

ORD 기록: ord-dbf065a26dd14e9e8e65f5ef928ce18f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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