Acetone → 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[2-(1-methylpropyl)-2,3-dihydro-1H-isoindol-5-yl]-1H-indole-7-carboxamide

반응식

[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:33](=[O:34])[NH2:35])[cH:17][c:18](-[c:21]4[cH:22][c:23]5[c:27]([cH:28][cH:29]4)[CH2:26][N:25]([CH:30]([CH3:31])[CH3:32])[CH2:24]5)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH3:36][C:37](=[O:38])[CH3:39]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:33](=[O:34])[NH2:35])[cH:17][c:18](-[c:21]4[cH:22][c:23]5[c:27]([cH:28][cH:29]4)[CH2:26][N:25]([CH:30]([CH3:31])[CH2:32][CH3:36])[CH2:24]5)[cH:19][c:20]23)[CH2:10][CH2:11]1

참가 물질

반응물 2

HCID 180Acetone

HCID 426304983-[1-(ethylsulfonyl)-4-piperidinyl]-5-[2-(1-methylethyl)-2,3-dihydro-1H-isoindol-5-yl]-1H-indole-7-carboxamide

생성물 1

HCID 426305003-[1-(ethylsulfonyl)-4-piperidinyl]-5-[2-(1-methylpropyl)-2,3-dihydro-1H-isoindol-5-yl]-1H-indole-7-carboxamide

출처 및 근거

ORD 기록: ord-089317aa66b54aa1a4ff827b13b4c0aa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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