Tetrahydrofuran → N1-Cyclopropyl-5-((2-(((2-chloroethylamino)carbonyl)amino)-4-pyridyl)oxy)-1H-1-indolecarboxamide

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 160352-Chloroethyl isocyanate

HCID 21949236N1-cyclopropyl-5-((2-amino-4-pyridyl)oxy)-1H-1-indolecarboxamide

생성물 1

HCID 21949416N1-Cyclopropyl-5-((2-(((2-chloroethylamino)carbonyl)amino)-4-pyridyl)oxy)-1H-1-indolecarboxamide

출처 및 근거

ORD 기록: ord-9e6a0688b3744dcfb2898f43e3869bcb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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