Piperidine, 4-(1,1-dimethylethyl)- → (4-tert-Butyl-piperidin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl]-methanone

HRID 296314

반응식

HRID 296314 반응식
[C:23]([CH3:24])([CH3:25])([CH3:26])[CH:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[nH:1]1[n:2][cH:3][c:4](-[c:6]2[cH:7][c:8]3[c:9]([cH:21][cH:22]2)-[c:10]2[n:11][c:12]([C:18](=[O:19])[OH:20])[s:13][c:14]2[CH2:15][CH2:16][O:17]3)[cH:5]1>>[nH:1]1[n:2][cH:3][c:4](-[c:6]2[cH:7][c:8]3[c:9]([cH:21][cH:22]2)-[c:10]2[n:11][c:12]([C:18](=[O:20])[N:30]4[CH2:29][CH2:28][CH:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:32][CH2:31]4)[s:13][c:14]2[CH2:15][CH2:16][O:17]3)[cH:5]1

참가 물질

3

반응물 2

HCID 74661Piperidine, 4-(1,1-dimethylethyl)-HCID 582038838-(1H-Pyrazol-4-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid

생성물 1

HCID 58203913(4-tert-Butyl-piperidin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl]-methanone

출처 및 근거

ORD 기록
ord-64c880e298324e51808db0069494fc2a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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