HRID289748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3nnn(COC(=O)C(C)(C)C)n3)ccc1O2

HCID57931024

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)C(=O)OCn1nnc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)n1

HCID57931021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40be7debd5864d18b80fa670591985c9
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

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