HRID1150723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1048

Pyrazole

C3H4N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCCN(c2nc3ccccc3n2CCOS(C)(=O)=O)CC1

HCID18464661

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(c2nc3ccccc3n2CCn2cccn2)CC1

HCID70147913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f11cdeff6e314b0d9d2481e8913f8c08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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