HRID89932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID261

Butanal

C4H8O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID498716

未命名化合物

结构：COc1cc(CC(=O)Nc2ccc(C(N)CC(=O)OC(C)(C)C)cc2)ccc1NC(=O)Nc1ccccc1C

HCID53940188

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(CC(=O)OC(C)(C)C)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

HCID54204022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7d4847b45294c76bcc479fe9ebf54c7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([CH2:17][c:18]2[cH:19][c:20]([O:35][CH3:36])[c:21]([NH:24][C:25](=[O:26])[NH:27][c:28]3[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]2)=[O:37])[cH:13][cH:14]1)[NH2:38])=[O:39].[C:50]([BH3-:51])#[N:52].[C:55](=[O:56])([O-:57])[O-:58].[CH3:46][C:47](=[O:48])[O-:49].[CH3:61][OH:62].[CH:40]([CH2:41][CH2:42][CH3:43])=[O:44].[ClH:54].[K+:59].[K+:60].[Na+:45].[Na+:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([CH2:17][c:18]2[cH:19][c:20]([O:35][CH3:36])[c:21]([NH:24][C:25](=[O:26])[NH:27][c:28]3[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]2)=[O:37])[cH:13][cH:14]1)[NH:38][CH2:40][CH2:41][CH2:42][CH3:43])=[O:39]