HRID191749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID10387

Benzyl chloroformate

C8H7ClO2

结构：COCOc1ccccc1N1CC(C)(C)N(CC(N)C2CC(C(C)C)C(=O)O2)CC1=O

HCID178497636

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccccc1N1CC(C)(C)N(CC(NC(=O)OCc2ccccc2)C2CC(C(C)C)C(=O)O2)CC1=O

HCID178497637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e452393b5644d9eb83c18f43b4ddae2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[O:2])([OH:3])[O-:4].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][C:14](=[O:15])[Cl:16].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[NH2:17][CH:18]([CH2:19][N:20]1[CH2:21][C:22](=[O:38])[N:23]([c:28]2[c:29]([O:34][CH2:35][O:36][CH3:37])[cH:30][cH:31][cH:32][cH:33]2)[CH2:24][C:25]1([CH3:26])[CH3:27])[CH:39]1[O:40][C:41](=[O:47])[CH:42]([CH:44]([CH3:45])[CH3:46])[CH2:43]1.[Na+:5].[OH2:54]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][C:14](=[O:15])[NH:17][CH:18]([CH2:19][N:20]1[CH2:21][C:22](=[O:38])[N:23]([c:28]2[c:29]([O:34][CH2:35][O:36][CH3:37])[cH:30][cH:31][cH:32][cH:33]2)[CH2:24][C:25]1([CH3:26])[CH3:27])[CH:39]1[O:40][C:41](=[O:47])[CH:42]([CH:44]([CH3:45])[CH3:46])[CH2:43]1