HRID124040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7477

Benzoyl chloride, 4-methoxy-

C8H7ClO2

HCID8471

Triethylamine

C6H15N

结构：COc1ccc2c(=O)n(C)c(CCNC(=O)C3(N)CC3)c(-c3ccccc3)c2c1

HCID11474802

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NC2(C(=O)NCCc3c(-c4ccccc4)c4cc(OC)ccc4c(=O)n3C)CC2)cc1

HCID11466631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-409b9d7e86e5452297744cd423da30eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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