5-Isocyanato-3-methylisoquinoline → N-(7-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-N'-(3-methylisoquinolin-5-yl)urea

반응식

[C:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[cH:20][cH:21][c:22]2[c:27]([cH:28]1)[O:26][CH2:25][CH2:24][CH:23]2[NH2:29].[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([N:12]=[C:13]=[O:14])[c:10]2[cH:11]1>>[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[NH:29][CH:23]3[c:22]4[cH:21][cH:20][c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:28][c:27]4[O:26][CH2:25][CH2:24]3)[c:10]2[cH:11]1

참가 물질

반응물 2

HCID 222283825-Isocyanato-3-methylisoquinoline

HCID 672368437-tert-Butyl-chroman-4-ylamine

생성물 1

HCID 53251335N-(7-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-N'-(3-methylisoquinolin-5-yl)urea

출처 및 근거

ORD 기록: ord-ed20f418b39b43f4bff51a70dd361ea4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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