HRID683092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

结构：NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID57993201

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID57993269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b7d6c58348746f587926db3626747d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:36]([CH3:37])([CH3:38])[S:39](=[O:40])(=[O:41])[Cl:42].[Cl:48][CH2:49][Cl:50].[NH2:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1.[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[n:28]1[c:29]([CH3:30])[cH:31][cH:32][cH:33][c:34]1[CH3:35]>>[NH:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1)[S:39]([CH:36]([CH3:37])[CH3:38])(=[O:40])=[O:41]