HRID321142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID18052

Allyl chloroformate

C4H5ClO2

HCID105144

Palladium(2+)

Pd+2

HCID178418361

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC1CC(C(O)c2ccncc2)N(Cc2ccccc2)C1

HCID178455072

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(O)c1ccncc1

HCID178459779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0395b75afdec42ac99cec4bd5903d1c1
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH:21]([OH:22])[c:23]2[cH:24][cH:25][n:26][cH:27][cH:28]2)[CH2:10][CH:11]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12]1.[CH3:29][C:30](=[O:31])[OH:32].[CH3:42][CH2:43][OH:44].[Cl:35][C:36](=[O:37])[O:38][CH2:39][CH:40]=[CH2:41].[H:33][H:34].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:46].[OH-:48].[OH2:45].[Pd+2:47]>>[N:8]1([C:36](=[O:37])[O:38][CH2:39][CH:40]=[CH2:41])[CH:9]([CH:21]([OH:22])[c:23]2[cH:24][cH:25][n:26][cH:27][cH:28]2)[CH2:10][CH:11]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12]1