HRID102642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID13624

2-Aminobenzimidazole

C7H7N3

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID323593

4-bromobenzene-1,2-diamine

C6H7BrN2

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

HCID260

Hydrogen Bromide

BrH

HCID13624

2-Aminobenzimidazole

C7H7N3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d52babb22b24463808ed1b9730b8a13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH:20]([OH:21])[OH:22].[Br:11][c:12]1[cH:13][c:14]([NH2:15])[c:16]([NH2:17])[cH:18][cH:19]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:106][OH:107].[CH3:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[nH:10]1.[Na+:27].[Na+:28].[OH2:108].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[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)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105]1>>[BrH:11].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[nH:10]1