Pyrazole-4-carboxylic acid → methyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(1H-pyrazol-4-ylcarbonyl)amino]methyl}phenoxy)acetate

HRID 185090

반응식

HRID 185090 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[cH:32][cH:33]2)[cH:9][cH:10]1.[nH:34]1[n:35][cH:36][c:37]([C:39](=[O:40])[OH:41])[cH:38]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[C:39]([c:37]3[cH:36][nH:35][n:34][cH:38]3)=[O:40])[cH:32][cH:33]2)[cH:9][cH:10]1

참가 물질

3

반응물 2

HCID 3015937Pyrazole-4-carboxylic acidHCID 57554567Methyl {4-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]phenoxy}acetate

생성물 1

HCID 57841328methyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(1H-pyrazol-4-ylcarbonyl)amino]methyl}phenoxy)acetate

출처 및 근거

ORD 기록
ord-29ec99cf4d294705bfb2803046d26e2d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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