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Water → 4-amino-N-(3,4-dimethylphenyl)-3-nitrobenzamide

HRID 2323253
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HRID 2323253 반응식
[CH3:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34].[CH3:35][c:36]1[cH:37][c:38]([NH2:43])[cH:39][cH:40][c:41]1[CH3:42].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:64].[OH:14][n:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[n:22][n:23]1>>[NH2:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[cH:4][c:5]([C:6](=[O:8])[NH:43][c:38]2[cH:37][c:36]([CH3:35])[c:41]([CH3:42])[cH:40][cH:39]2)[cH:9][cH:10]1
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9

반응물 8

HCID 962WaterHCID 6228DimethylformamideHCID 72483,4-DimethylanilineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 74115Benzoic acid, 4-amino-3-nitro-HCID 757711-Hydroxybenzotriazole
HCID 81531
Diisopropylethylamine

생성물 1

HCID 87439264-amino-N-(3,4-dimethylphenyl)-3-nitrobenzamide

출처 및 근거

ORD 기록
ord-11ae48d28e26444bb792f87e76e4cdd5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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