HRID189556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID59830883

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2cnc(Cl)nc2)cc1

HCID86599912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7135ad79c69f4d70996dc9aebc34ec79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:33][c:34]1[cH:35][n:36][c:37]([Cl:40])[n:38][cH:39]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]3)[cH:21][cH:22]2)=[O:32])[cH:11][cH:12][cH:13][cH:14]1.[C:41](=[O:42])([O-:43])[OH:44].[CH3:123][O:124][CH2:125][CH2:126][O:127][CH3:128].[Na+:45].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:34]3[cH:35][n:36][c:37]([Cl:40])[n:38][cH:39]3)[cH:21][cH:22]2)=[O:32])[cH:11][cH:12][cH:13][cH:14]1