HRID111223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734765

3-Bromobenzenesulfonamide

C6H6BrNO2S

结构：OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(I)cnc12

HCID59333295

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cccc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)c1

HCID25070421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-933b2d109d9f4788b86a446871ecdad4
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

[Br:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:5][cH:6][cH:7]1.[CH3:13][C:14](=[O:15])[O-:16].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[I:17][c:18]1[cH:19][n:20][c:21]2[n:22]1[c:23]1[cH:24][cH:25][c:26]([C:36]([F:37])([F:38])[F:39])[cH:27][c:28]1[n:29][c:30]2[NH:31][CH2:32][CH2:33][CH2:34][OH:35].[K+:12].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:18]2[cH:19][n:20][c:21]3[n:22]2[c:23]2[cH:24][cH:25][c:26]([C:36]([F:37])([F:38])[F:39])[cH:27][c:28]2[n:29][c:30]3[NH:31][CH2:32][CH2:33][CH2:34][OH:35])[cH:3][c:4]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:5][cH:6][cH:7]1