HRID1150695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：O=S(=O)(c1ccc(Br)cc1)C1CCN(CCc2ccc(F)cc2F)CC1

HCID11048512

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nnn(C)n1

HCID22573883

2-Methyl-5-(tributylstannyl)-2H-tetrazole

C14H30N4Sn

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：Cn1nnc(-c2ccc(S(=O)(=O)C3CCN(CCc4ccc(F)cc4F)CC3)cc2)n1

HCID23499485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74fbcccc1d1e4f7da07cf8af35615f3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][c:19]3[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1.[CH3:27][n:28]1[n:29][c:30]([Sn:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[n:31][n:32]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:46].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1(-[c:30]2[n:29][n:28]([CH3:27])[n:32][n:31]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][c:19]3[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1