2-Methylbenzoic acid → HCID 59324140, 화합물

반응식

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

참가 물질

반응물 2

HCID 83732-Methylbenzoic acid

HCID 593241651,1,1-Trifluoro-3-{[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}-2-[(propylamino)methyl]-2-propanol

생성물 1

HCID 59324140HCID 59324140, 화합물

출처 및 근거

ORD 기록: ord-2a95b7bb48754f7dad0b7488987ade44
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…