HRID140468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

HCID52998

2-(3-(4,6-Dimethylpyrimidin-2-yl)ureidosulfonyl)benzoic acid

C14H14N4O5S

PRODUCTS

生成物

结构：Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OCc2ccccc2)n1

HCID13176580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e79ba0e1ad04f9d88b82d3293a09751
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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