HRID307603

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

HCID2737803

3-AMINO-4-METHYLPHENYLBORONIC ACID

C7H10BNO2

HCID20284971

2-Chloro-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine

C10H10ClN3OS

PRODUCTS

生成物

HCID67188949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-239b3e95c7f34c56a795b17faf3cbd03
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

[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][s:10]2.[NH2:17][c:18]1[cH:19][c:20]([B:25]([OH:26])[OH:27])[cH:21][cH:22][c:23]1[CH3:24].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:87].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1(-[c:20]2[cH:19][c:18]([NH2:17])[c:23]([CH3:24])[cH:22][cH:21]2)[n:3][c:4]([N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][s:10]2