HRID702258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID14232

N-Methoxymethylamine

C2H7NO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)NC(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O

HCID3437537

未命名化合物

PRODUCTS

产物

反应SMILES：CON(C)C(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C

HCID86591138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01c5e6a189814bd3ac6bb9b026b38c74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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