HRID2132009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4oc(C)nc4-c4ccc(N)cc4)ccnc32)cc1

HCID68995193

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4oc(C)nc4-c4ccc(NC(=O)N(C)C)cc4)ccnc32)cc1

HCID68999626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e6cd28626234f7bae7cea05f1a8e8f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][c:2]1[o:3][c:4](-[c:14]2[c:15]3[c:16]([n:17][cH:18][cH:19]2)[n:20]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[cH:21][cH:22]3)[c:5](-[c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[n:6]1.[CH3:33][N:34]([C:35](=[O:36])[Cl:37])[CH3:38]>>[CH3:1][c:2]1[o:3][c:4](-[c:14]2[c:15]3[c:16]([n:17][cH:18][cH:19]2)[n:20]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[cH:21][cH:22]3)[c:5](-[c:7]2[cH:8][cH:9][c:10]([NH:11][C:35]([N:34]([CH3:33])[CH3:38])=[O:36])[cH:12][cH:13]2)[n:6]1