HRID290262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID49835905

(1-Oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)boronic acid

C9H10BNO3

结构：CCS(=O)(=O)c1ccc(-c2cnc(N)c(Br)c2)cc1

HCID70654853

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

HCID70655199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe099e29037040b4916884b05fa65bf0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH2:19])[n:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[cH:12][cH:13]2)[cH:7]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][C:41]#[N:42].[Na+:38].[Na+:39].[O:20]=[C:21]1[NH:22][CH2:23][CH2:24][c:25]2[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][cH:29][c:30]21.[OH2:84].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1(-[c:27]2[cH:26][c:25]3[c:30]([cH:29][cH:28]2)[C:21](=[O:20])[NH:22][CH2:23][CH2:24]3)[c:3]([NH2:19])[n:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[cH:12][cH:13]2)[cH:7]1