HRID2156909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1

HCID12106

Phosphorous acid, tris(4-methylphenyl) ester

C21H21O3P

HCID75617

Benzyl acrylate

C10H10O2

HCID105144

Palladium(2+)

Pd+2

HCID58907464

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1cccc(C=CC(=O)OCc2ccccc2)c1)NC(=O)OC(C)(C)C

HCID69023502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cb37eee633b4c98bc90fe871f416784
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]([NH:7][C:8]([CH2:9][c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1)([CH3:17])[CH3:18])=[O:19].[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[P:32]([O:33][c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1)([O:41][c:42]1[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]1)[O:49][c:50]1[cH:51][cH:52][c:53]([CH3:54])[cH:55][cH:56]1.[Pd+2:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][c:10]1[cH:11][c:12]([CH:22]=[CH:21][C:20](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:13][cH:14][cH:15]1)([CH3:17])[CH3:18])=[O:19]