HRID191782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CC(c2cnc3[nH]ccc3c2)C1

HCID68597673

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)C1

HCID68597537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d6083cc0c7f42fbaf5979443012fbba
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[nH:18][cH:19][cH:20]3)[CH2:11]1.[CH3:34][C:35]([N:36]([CH3:37])[CH3:38])=[O:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[H-:21].[Na+:22].[OH2:33].[c:23]1([S:29](=[O:30])(=[O:31])[Cl:32])[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:12]2[cH:13][c:14]3[c:15]([n:16][cH:17]2)[n:18]([S:29]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)(=[O:30])=[O:31])[cH:19][cH:20]3)[CH2:11]1