HRID1574366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C(CO)NC(=O)C1CCN(C(=O)Cc2cc(C)ccc2C)CC1

HCID67461522

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1COC(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)=N1

HCID67460115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19d0689a04064a8db544f0fd56b64e3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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