HRID310772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15513

Methyl hydrogen terephthalate

C9H8O4

HCID24386

Thionyl chloride

Cl2OS

HCID11469760

5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine

C14H21N

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

HCID13632689

Methyl 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoate

C23H27NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-970e923b3747488abc1ea0d3cee91997
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

[CH3:19][C:20]1([CH3:33])[c:21]2[cH:22][cH:23][c:24]([NH2:32])[cH:25][c:26]2[C:27]([CH3:30])([CH3:31])[CH2:28][CH2:29]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1)=[O:13].[CH3:39][N:40]([c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1)[CH3:47].[O:14]=[CH:15][N:16]([CH3:17])[CH3:18].[OH2:34].[S:35]([Cl:36])([Cl:37])=[O:38]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:8](=[O:10])[NH:32][c:24]2[cH:23][cH:22][c:21]3[c:26]([cH:25]2)[C:27]([CH3:30])([CH3:31])[CH2:28][CH2:29][C:20]3([CH3:19])[CH3:33])[cH:11][cH:12]1)=[O:13]