HRID682866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

HCID4571240

未命名化合物

HCID68465935

未命名化合物

PRODUCTS

生成物

结构：C=CCOCCC(NCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(OC)c1

HCID178459116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36bf3468a1da4342a6f57d88cfd44d47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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