HRID135355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID65522

2-Amino-4,6-dichloropyrimidine

C4H3Cl2N3

结构：CC(C)(C)OC(=O)NC(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

HCID4683189

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(-c2cc(Cl)nc(N)n2)cc1)C(=O)O

HCID74404114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4131791c67f4a60b365e6432c989e0d
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

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