HRID1145003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6342

Acetonitrile

C2H3N

2 次

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

HCID22494286

Ethyl 3-(3-amino-4-methoxyphenyl)-2-isopropoxypropanoate

C15H23NO4

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OC)c(N=C=O)c1)OC(C)C

HCID22927009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b30e7ad6eb2d4c47a9258f5a148533cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[C:36](#[N:37])[CH3:38].[CH3:44][C:45]#[N:46].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[NH2:16][c:17]1[cH:18][c:19]([CH2:25][CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[O:32][CH:33]([CH3:34])[CH3:35])[cH:20][cH:21][c:22]1[O:23][CH3:24].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43]>>[C:1](=[O:2])=[N:16][c:17]1[cH:18][c:19]([CH2:25][CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[O:32][CH:33]([CH3:34])[CH3:35])[cH:20][cH:21][c:22]1[O:23][CH3:24]