Diethyl Ether → HCID 178508384, 화합물

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[CH2:40]([O:41][CH2:42][CH3:43])[CH3:44].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:22]3[cH:23][c:24]([NH:28][S:29](=[O:30])(=[O:31])[c:32]4[c:33]([F:39])[cH:34][cH:35][c:36]([F:38])[cH:37]4)[cH:25][cH:26][cH:27]3)[n:10][n:11]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:18][CH3:19])[cH:20][cH:21]3)[cH:12]2)[n:7]1.[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:22]3[cH:23][c:24]([NH:28][S:29](=[O:30])(=[O:31])[c:32]4[c:33]([F:39])[cH:34][cH:35][c:36]([F:38])[cH:37]4)[cH:25][cH:26][cH:27]3)[n:10][nH:11][cH:12]2)[n:7]1

참가 물질

반응물 3

HCID 3283Diethyl Ether

HCID 6422Trifluoroacetic acid

HCID 67184347N-{3-[4-(2-aminopyrimidin-4-yl)-1-(4-methoxybenzyl)-1H-pyrazol-3-yl]phenyl}-2,5-difluorobenzenesulfonamide

생성물 1

HCID 178508384HCID 178508384, 화합물

출처 및 근거

ORD 기록: ord-6332004104ef4f3c9ae2adab111c600d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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