HRID2314516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

反应SMILES：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3N)c3ccccc23)cc1

HCID58416751

未命名化合物

PRODUCTS

产物

反应SMILES：COCC(=O)Nc1cnccc1COc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12

HCID45254394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6fc43d7d70f443ff9663540eae57f0d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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