HRID2317615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8900

Heptane

C7H16

HCID2757187

5-Bromo-N-tert-butylthiophene-2-sulfonamide

C8H12BrNO2S2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)n2)cn1

HCID57468834

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：CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)cn2)s1

HCID24760894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcbcfaa4b0be436299dde5798faf8a78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[NH:43][S:44](=[O:45])(=[O:46])[c:47]1[s:48][c:49]([Br:52])[cH:50][cH:51]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:31])([c:6]1[n:7][cH:8][n:9](-[c:11]2[n:12][c:13]([C:27]([F:28])([F:29])[F:30])[cH:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:16]2)[cH:10]1)[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:6]1(-[c:49]2[s:48][c:47]([S:44]([NH:43][C:39]([CH3:40])([CH3:41])[CH3:42])(=[O:45])=[O:46])[cH:51][cH:50]2)[n:7][cH:8][n:9](-[c:11]2[n:12][c:13]([C:27]([F:28])([F:29])[F:30])[cH:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:16]2)[cH:10]1