HRID91052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CCOC(=O)CC1(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1

HCID86635421

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCC1(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1

HCID86635422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daf15885fa3c49ebbc727453a499fd7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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