HRID2138463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID280

Carbon dioxide

CO2

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID65522

2-Amino-4,6-dichloropyrimidine

C4H3Cl2N3

HCID105144

Palladium(2+)

Pd+2

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-c5557f4f9c744a58a63b30cee497adc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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:57](=[O:58])=[O:59].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:74][CH2:75][OH:76].[NH2:29][c:30]1[n:31][c:32]([Cl:37])[cH:33][c:34]([Cl:36])[n:35]1.[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[Pd+2:60].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]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