HRID1141718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID10468856

N-[5-(4-Bromophenyl)-1H-imidazol-2-yl]acetamide

C11H10BrN3O

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1

HCID57449759

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(=O)Nc1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1

HCID59347679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-926a9766255d4ede99b2e50bc27350f5
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](-[c:8]2[cH:9][n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[nH:12]2)[cH:6][cH:7]1.[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[cH:26][cH:27][c:28](-[c:31]3[cH:32][n:33][c:34]([CH:36]4[N:37]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:38][CH2:39][CH2:40]4)[nH:35]3)[cH:29][cH:30]2)[O:48]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH2:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([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)[P:105]([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)([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)[cH:136][cH:137]1>>[c:2]1(-[c:25]2[cH:26][cH:27][c:28](-[c:31]3[cH:32][n:33][c:34]([CH:36]4[N:37]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:38][CH2:39][CH2:40]4)[nH:35]3)[cH:29][cH:30]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[nH:12]2)[cH:6][cH:7]1