HRID1213745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11461

Benzoic acid, 3-methoxy-

C8H8O3

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID178418300

未命名化合物

HCID178434570

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(=O)Nc2c(C)n[nH]c2-c2ccccc2)c1

HCID178490485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92effbf6e2714407adac9833a42fb2a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:20][O:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30]1.[CH3:31][c:32]1[n:33][nH:34][c:35](-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:36]1[NH2:37].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:11]([N:12]=[C:13]=[N:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[OH2:49].[OH:1][c:2]1[c:3]2[n:4][n:5][nH:6][c:7]2[cH:8][cH:9][cH:10]1>>[CH3:20][O:21][c:22]1[cH:23][c:24]([C:25](=[O:27])[NH:37][c:36]2[c:32]([CH3:31])[n:33][nH:34][c:35]2-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:28][cH:29][cH:30]1