HRID1557287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(NC(=O)C(CCCc1ccccc1)C(C)O)c1nnc(Cc2cccc3ccccc23)[nH]c1=O

HCID135824724

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(CCCc1ccccc1)C(=O)NC(C)c1nnc(Cc2cccc3ccccc23)[nH]c1=O

HCID135824716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-337dab757cd348f788f6695c2d969231
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH:52]([CH3:53])[CH3:54])[CH3:55].[CH3:7][S:8](=[O:9])[CH3:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[OH:11][CH:12]([CH3:13])[CH:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]1[c:21](=[O:37])[nH:22][c:23]([CH2:26][c:27]2[cH:28][cH:29][cH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[n:24][n:25]1)[CH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[O:11]=[C:12]([CH3:13])[CH:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]1[c:21](=[O:37])[nH:22][c:23]([CH2:26][c:27]2[cH:28][cH:29][cH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[n:24][n:25]1)[CH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1