HRID115324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID289435

2-Chloro-N-pyridin-2-yl-acetamide

C7H7ClN2O

结构：O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1ccccc1

HCID59401215

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(Nc1ccccc1)c1ccccc1)C2)Nc1ccccn1

HCID76828771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8362c872a83d4c419a053d9fe71bacd5
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

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