HRID2350526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID72899

Indole-2-carboxylic acid

C9H7NO2

结构：COc1cc(C)cc(OC)c1C1=NC(N)C(=O)N(C)c2ccccc21

HCID15379622

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)cc(OC)c1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)N(C)c2ccccc21

HCID9805268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-567ce24dfb6542ef9e01051c7e12f937
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

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[NH2:1][CH:2]1[C:3](=[O:25])[N:4]([CH3:24])[c:5]2[c:6]([cH:20][cH:21][cH:22][cH:23]2)[C:7]([c:9]2[c:10]([O:18][CH3:19])[cH:11][c:12]([CH3:17])[cH:13][c:14]2[O:15][CH3:16])=[N:8]1.[OH2:45].[nH:26]1[c:27]([C:35](=[O:36])[OH:37])[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12>>[NH:1]([CH:2]1[C:3](=[O:25])[N:4]([CH3:24])[c:5]2[c:6]([cH:20][cH:21][cH:22][cH:23]2)[C:7]([c:9]2[c:10]([O:18][CH3:19])[cH:11][c:12]([CH3:17])[cH:13][c:14]2[O:15][CH3:16])=[N:8]1)[C:35]([c:27]1[nH:26][c:34]2[c:29]([cH:28]1)[cH:30][cH:31][cH:32][cH:33]2)=[O:36]