HRID2327336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2829414

未命名化合物

HCID23120827

[4-(9H-Carbazol-9-yl)phenyl]boronic acid

C18H14BNO2

PRODUCTS

生成物

结构：c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1

HCID58435168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45dcfca8bfa24706bcc8def535141450
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:61](=[O:62])([O-:63])[O-:64].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:83][O:84][CH2:85][CH2:86][O:87][CH3:88].[I:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1.[K+:65].[K+:66].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[Pd+2:67].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[CH3:60].[cH:17]1[cH:18][cH:19][cH:20][c:21]2[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[n:28](-[c:30]3[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]3)[c:29]12>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30](-[n:28]3[c:27]4[c:22]([c:21]5[cH:20][cH:19][cH:18][cH:17][c:29]53)[cH:23][cH:24][cH:25][cH:26]4)[cH:35][cH:34]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1