HRID158643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID254532

Naphthalen-1-ylboronic acid

C10H9BO2

反应SMILES：O=C(c1ccc(Br)cc1Cl)N1Cc2cccn2Cc2ccccc21

HCID9909050

未命名化合物

反应SMILES：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

产物

反应SMILES：O=C(c1ccc(-c2cccc3ccccc23)cc1Cl)N1Cc2cccn2Cc2ccccc21

HCID21947737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-40340f97768d49629e696f1c5a50cf1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[Br:14][c:15]1[cH:16][c:17]([Cl:37])[c:18]([C:21](=[O:22])[N:23]2[CH2:24][c:25]3[n:26]([cH:34][cH:35][cH:36]3)[CH2:27][c:28]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[cH:19][cH:20]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][OH:53].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:54].[c:1]1([B:11]([OH:12])[OH:13])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:1]1(-[c:15]2[cH:16][c:17]([Cl:37])[c:18]([C:21](=[O:22])[N:23]3[CH2:24][c:25]4[n:26]([cH:34][cH:35][cH:36]4)[CH2:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[cH:19][cH:20]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12