HRID321336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID14438906

未命名化合物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(Br)cn1

HCID58508787

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(-c2ccccc2)cn1

HCID58508956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4076460e263f4db88796c3f61f32e6ac
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:16][c:17]1[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][c:26]2[c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36][c:37](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:38]2)[n:21][cH:22]1.[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH3:93][O:94][CH2:95][CH2:96][O:97][CH3:98].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:86].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:7]1([O:13][B:14]=[O:15])[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[c:7]1(-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][c:26]3[c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36][c:37](-[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:38]3)[n:21][cH:22]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1