HRID701058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

HCID62324

Propanoyl chloride

C3H5ClO

结构：CCCc1nc2c(n1Cc1ccc(-c3ccccc3C(=O)OC(C)(C)C)cc1)C(C(=O)OCC)NCC2

HCID19933002

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2c(n1Cc1ccc(-c3ccccc3C(=O)OC(C)(C)C)cc1)C(C(=O)OCC)N(C(=O)CC)CC2

HCID19932984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-245ff8ca914545a7a2e95159d1bb384d
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]([OH:2])(=[O:3])[C:4]([OH:5])=[O:6].[C:44]([CH2:45][CH3:46])(=[O:47])[Cl:48].[CH2:7]([CH2:8][CH3:9])[c:10]1[n:11][c:12]2[c:13]([n:23]1[CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]3[c:32]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]1)[CH:14]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[NH:15][CH2:16][CH2:17]2>>[CH2:7]([CH2:8][CH3:9])[c:10]1[n:11][c:12]2[c:13]([n:23]1[CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]3[c:32]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]1)[CH:14]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[N:15]([C:44]([CH2:45][CH3:46])=[O:47])[CH2:16][CH2:17]2