HRID212030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID13577349

Phenyl (4-methoxy-6-methylpyrimidin-2-yl)carbamate

C13H13N3O3

HCID54018765

未命名化合物

PRODUCTS

生成物

结构：CON=C(Cl)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1

HCID53786624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-460f62ff55884da6b92f60c373777891
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:35]1[CH2:36][CH2:37][C:38]2=[N:43][CH2:42][CH2:41][CH2:40][N:39]2[CH2:44][CH2:45]1.[CH3:16][O:17][c:18]1[n:19][c:20]([NH:25][C:26]([O:27][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:28])[n:21][c:22]([CH3:24])[cH:23]1.[CH3:46][C:47]#[N:48].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:11](=[N:12][O:13][CH3:14])[Cl:15])[cH:7][cH:8][cH:9][cH:10]1.[OH2:49]>>[NH:1]([S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:11](=[N:12][O:13][CH3:14])[Cl:15])[cH:7][cH:8][cH:9][cH:10]1)[C:26]([NH:25][c:20]1[n:19][c:18]([O:17][CH3:16])[cH:23][c:22]([CH3:24])[n:21]1)=[O:27]