HRID191687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID123350

4-(Methylsulfonyl)phenol

C7H8O3S

HCID166653

Hydride

H-

反应SMILES：COc1nc(Cl)c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1

HCID86636111

未命名化合物

PRODUCTS

产物

反应SMILES：COc1nc(Oc2ccc(S(C)(=O)=O)cc2)c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1

HCID57964880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b185b3fe5a804a1b9953baf877938349
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

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH2:23][CH:24]([n:27]2[n:28][cH:29][c:30]3[c:31]2[n:32][c:33]([O:37][CH3:38])[n:34][c:35]3[Cl:36])[CH2:25][CH2:26]1.[CH3:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl-:39].[H-:1].[NH4+:40].[Na+:2]>>[CH3:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([O:13][c:35]2[c:30]3[cH:29][n:28][n:27]([CH:24]4[CH2:23][CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:26][CH2:25]4)[c:31]3[n:32][c:33]([O:37][CH3:38])[n:34]2)[cH:11][cH:12]1