HRID285599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2989557

1-(4-bromobenzyl)-1H-imidazole

C10H9BrN2

结构：CC(C)Cc1cc(B(O)O)c(S(=O)(=O)NC(C)(C)C)s1

HCID11484000

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)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(S(=O)(=O)NC(C)(C)C)s1

HCID11419042

3-(4-Imidazol-1-ylmethylphenyl)-5-iso-butyl-N-tert-butylthiophene-2-sulfonamide

C22H29N3O2S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db42688c7fde49d582699941b071a574
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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