HRID2330052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1cc(C(=O)N2Cc3ccc(OCCCNC(=O)OC(C)(C)C)cc3C2)c(O)cc1O

HCID11955638

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)c1cc(C(=O)N2Cc3ccc(OCCCN)cc3C2)c(O)cc1O

HCID11955509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88240f27f9744603b096b1f65dfdcb67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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