HRID2334817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7416

Nitrobenzene

C6H5NO2

HCID11553

Propanoic acid, 3-bromo-

C3H5BrO2

结构：CCOC(=O)Nc1ccc2ncc3c(NC(=O)OCC)cc(-c4ccccc4)cc3c2c1

HCID21966918

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Nc1ccc2ncc3c(NC(=O)OCC)cc(-c4ccccc4)c(CCC(=O)O)c3c2c1

HCID68693544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f22a162d64644d4d97a0a798ddfae00b
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

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