Ethanol → N-Cyclopropyl-4-methyl-3-[3-[[1-[2-[2-(ethylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide

반응식

[CH3:35][CH2:36][NH2:37].[CH3:38][CH2:39][OH:40].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([C:11]2([NH:14][c:15]3[c:16](=[O:34])[n:17](-[c:21]4[cH:22][c:23]([C:24](=[O:25])[NH:26][CH:27]5[CH2:28][CH2:29]5)[cH:30][cH:31][c:32]4[CH3:33])[cH:18][cH:19][n:20]3)[CH2:12][CH2:13]2)[cH:7][cH:8][cH:9][cH:10]1>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([C:11]2([NH:14][c:15]3[c:16](=[O:34])[n:17](-[c:21]4[cH:22][c:23]([C:24](=[O:25])[NH:26][CH:27]5[CH2:28][CH2:29]5)[cH:30][cH:31][c:32]4[CH3:33])[cH:18][cH:19][n:20]3)[CH2:12][CH2:13]2)[cH:7][cH:8][cH:9][cH:10]1)[NH:37][CH2:36][CH3:35]

참가 물질

반응물 3

HCID 702Ethanol

HCID 6341Ethylamine

HCID 66689514HCID 66689514, 화합물

생성물 1

HCID 66689157N-Cyclopropyl-4-methyl-3-[3-[[1-[2-[2-(ethylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide

출처 및 근거

ORD 기록: ord-24d9bde07b264b8eb81e9994982cd651
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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