HRID2314099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6854

Carbazole

C12H9N

HCID7237

o-Xylene

C8H10

HCID8058

n-Hexane

C6H14

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID4574913

未命名化合物

结构：Brc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1

HCID4645096

1-(p-bromophenyl)-3,5-diphenylpyrazole

C21H15BrN2

PRODUCTS

生成物

结构：c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1

HCID59399028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-370ec4c7bd854963aa5b5eb03677b094
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1.[C:44]([P:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])([CH3:54])([CH3:55])[CH3:56].[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[Na+:43].[OH2:57].[c:64]1([CH3:65])[c:66]([CH3:67])[cH:68][cH:69][cH:70][cH:71]1.[cH:25]1[cH:26][cH:27][c:28]2[c:29]([cH:30]1)[nH:31][c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]21>>[c:2]1(-[n:31]2[c:29]3[c:28]([cH:27][cH:26][cH:25][cH:30]3)[c:37]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1