HRID174644

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

HCID19660

Carbonate

CO3-2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

HCID21980004

未命名化合物

HCID178470049

未命名化合物

PRODUCTS

生成物

HCID21979994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ec4660803d4e37b2dae6da9ee0bac5
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:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:9][CH2:10][N:11]3[CH:12]([CH3:16])[CH2:13][CH2:14][CH2:15]3)[s:8]2)[cH:17][cH:18]1.[CH2:53]([O:54][C:55]([C:56]1=[C:66]([OH:67])[NH:65][c:64]2[c:58]([cH:59][cH:60][c:61]([Br:62])[cH:63]2)[S:57]1)=[O:68])[CH3:69].[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[CH:76]([OH:77])([CH3:78])[CH3:79].[Na+:70].[Na+:71].[O-:72][C:73](=[O:74])[O-:75].[OH2:80].[n:19]1[cH:20][c:21]([B:25]([OH:26])[OH:27])[cH:22][cH:23][cH:24]1>>[c:2]1(-[c:21]2[cH:20][n:19][cH:24][cH:23][cH:22]2)[cH:3][c:4]2[c:5]([n:6][c:7]([CH2:9][CH2:10][N:11]3[CH:12]([CH3:16])[CH2:13][CH2:14][CH2:15]3)[s:8]2)[cH:17][cH:18]1