HRID290949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID947

Nitrogen

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2773216

2-Aminophenylboronic acid

C6H8BNO2

HCID12403315

未命名化合物

PRODUCTS

生成物

HCID16116160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dad29091374441dcb318ebdef520ec5f
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

[CH3:17][O:18][C:19]([CH2:20][c:21]1[s:22][c:23]([Br:26])[cH:24][cH:25]1)=[O:27].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:3][CH2:4][OH:5].[ClH:6].[N:1]#[N:2].[NH2:7][c:8]1[c:9]([B:14]([OH:15])[OH:16])[cH:10][cH:11][cH:12][cH:13]1.[OH2:28].[Pd:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[NH2:7][c:8]1[c:9](-[c:23]2[s:22][c:21]([CH2:20][C:19]([O:18][CH3:17])=[O:27])[cH:25][cH:24]2)[cH:10][cH:11][cH:12][cH:13]1