HRID201503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID16035

Ethane, 1-chloro-2-isocyanato-

C3H4ClNO

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(N)cc(S(C)(=O)=O)c3)nc21

HCID59286174

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)NCCCl)cc(S(C)(=O)=O)c3)nc21

HCID59286142

N-(2-Chloroethyl)-N′-[3-(methylsulfonyl)-5-[[5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]phenyl]urea

C20H26ClN7O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76e5b7df60d0488db675cda94815233d
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

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