HRID147192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7237

o-Xylene

C8H10

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID15466

2-Amino-4-methoxy-6-methyl-1,3,5-triazine

C5H8N4O

HCID13103320

未命名化合物

PRODUCTS

生成物

结构：COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2-c2ccccc2)n1

HCID13103322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d575f68f353b4749b621b4afce101171
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

[CH3:37][C:38]#[N:39].[N:11]12[CH2:12][CH2:13][N:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2.[NH2:1][c:2]1[n:3][c:4]([CH3:10])[n:5][c:6]([O:8][CH3:9])[n:7]1.[c:19]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:20]([S:25](=[O:26])(=[O:27])[N:28]=[C:29]=[O:30])[cH:21][cH:22][cH:23][cH:24]1.[c:40]1([CH3:41])[c:42]([CH3:43])[cH:44][cH:45][cH:46][cH:47]1>>[NH:1]([c:2]1[n:3][c:4]([CH3:10])[n:5][c:6]([O:8][CH3:9])[n:7]1)[C:29]([NH:28][S:25]([c:20]1[c:19](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:24][cH:23][cH:22][cH:21]1)(=[O:26])=[O:27])=[O:30]