HRID669925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9255

Oxazole

C3H3NO

结构：Cc1c(I)nnn1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID59428119

未命名化合物

HCID178418339

Butyllithium

C4H9Li

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：Cc1c(-c2ncco2)nnn1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID57378193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58bba5c5646a413f8cda1bd19aea8d5e
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

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