HRID1204386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

结构：O=C(Nc1cc(CCCS(=O)(=O)c2ccc(Cl)cc2)ccc1O)c1cccc(C=Cc2nc(-c3ccccc3)cs2)c1

HCID53847750

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)c1cccc(C=Cc2nc(-c3ccccc3)cs2)c1

HCID54512577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b05d49480d3c489b8d5f81b21adfa1ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:61].[Br:49][CH2:50][C:51](=[O:52])[O:53][CH2:54][CH3:55].[C:43](=[O:44])([O-:45])[O-:46].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:62][CH2:63][CH2:64][CH2:65][N+:66]([CH2:67][CH2:68][CH2:69][CH3:70])([CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH2:77][CH3:78].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([OH:42])[c:18]([NH:19][C:20]([c:21]3[cH:22][c:23]([CH:27]=[CH:28][c:29]4[s:30][cH:31][c:32](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[n:33]4)[cH:24][cH:25][cH:26]3)=[O:40])[cH:41]2)[cH:6][cH:7]1.[K+:47].[K+:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:42][CH2:50][C:51](=[O:52])[O:53][CH2:54][CH3:55])[c:18]([NH:19][C:20]([c:21]3[cH:22][c:23]([CH:27]=[CH:28][c:29]4[s:30][cH:31][c:32](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[n:33]4)[cH:24][cH:25][cH:26]3)=[O:40])[cH:41]2)[cH:6][cH:7]1