HRID682933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID178418361

未命名化合物

结构：CC(NC(=O)C(O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1

HCID178465245

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(O)C(CCCCN)NC(=O)OC(C)(C)C)c1ccccc1

HCID178465246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8111fd01cc341faba67454c36d7a2c2
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

[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH:17]([C:18]([NH:19][CH:20]([CH3:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)=[O:28])[OH:29])[NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:41][CH2:42][OH:43].[H:38][H:39].[OH2:40]>>[NH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH:17]([C:18]([NH:19][CH:20]([CH3:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)=[O:28])[OH:29])[NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37]