HRID1202481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6568

2-Butanol

C4H10O

HCID8058

n-Hexane

C6H14

HCID272109

1-chloro-4-phenylphthalazine

C14H9ClN2

HCID57756261

未命名化合物

PRODUCTS

生成物

结构：OB(O)c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

HCID24856075

B-[2-[4-[(4-Phenyl-1-phthalazinyl)amino]phenoxy]-3-pyridinyl]boronic acid

C25H19BN4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4180f05706145a8833901abab4dd49c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:35][CH2:36][CH:37]([OH:38])[CH3:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[Cl:18][c:19]1[n:20][n:21][c:22](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[B:13]([OH:14])[OH:15])[cH:16][cH:17]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[B:13]([OH:14])[OH:15])[cH:16][cH:17]1)[c:19]1[n:20][n:21][c:22](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12