HRID1561433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID70943

4,6-Dichloropyrimidine

C4H2Cl2N2

结构：CC1(C)OB(c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)OC1(C)C

HCID45789683

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole

C28H29BN2O2

PRODUCTS

生成物

结构：Clc1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)ncn1

HCID86621435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-156f6eb3074f45cf94e2ecc806b91346
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:48][CH:49]([OH:50])[CH3:51].[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[cH:18][n:19][n:20]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:21]2)[O:41]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:93].[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[c:2]1(-[c:17]2[cH:18][n:19][n:20]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:21]2)[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1