4-Nitroaniline → 1-(2-(4-Fluorophenyl)acetyl)-3-(4-nitrophenyl)urea

반응식

[CH2:11]([NH:12][C:13](=[O:14])[O:15][c:16]1[c:17]([CH3:18])[c:19]2[n:20]([cH:21]1)[n:22][cH:23][n:24][c:25]2[O:26][c:27]1[cH:28][cH:29][c:30]([NH:31][C:33](=[O:34])[NH:35][C:36]([CH2:37][c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)=[O:45])[cH:32][c:46]1[F:47])[CH3:48].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:9][cH:10]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][C:33](=[O:34])[NH:35][C:36]([CH2:37][c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)=[O:45])[cH:9][cH:10]1

참가 물질

반응물 3

HCID 74754-Nitroaniline

HCID 8028Tetrahydrofuran

HCID 114973464-(2-Fluoro-4-(3-(2-(4-fluorophenyl)acetyl)ureido)phenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl ethylcarbamate

생성물 1

HCID 210814671-(2-(4-Fluorophenyl)acetyl)-3-(4-nitrophenyl)urea

출처 및 근거

ORD 기록: ord-1eb5db4037fa4d7983759b78c4deda27
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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