HRID118461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6422

未命名化合物

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)N1C(=O)C(NCCCCc2ccccc2)=C(c2ccccc2)S1(=O)=O

HCID11495283

未命名化合物

PRODUCTS

生成物

结构：O=C1C(NCCCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1Cc1ccccc1

HCID11698034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e74723e434074c0aacd08a03ab7c97f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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