Trifluoroacetic acid → HCID 59612545, 화합물

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 596126357-{8-[2-(2,2-Difluoro-ethoxy)-4-methanesulfonyl-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino}-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

생성물 1

HCID 59612545HCID 59612545, 화합물

출처 및 근거

ORD 기록: ord-685ea7e84bed47be8c7e142a1587a5fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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