HRID1201504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID550673

ethyl pyrrolidine-2-carboxylate

C7H13NO2

结构：Cc1oc(-c2ccccc2)nc1COc1cccc(C(C)(C)C(=O)O)c1

HCID68675673

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCCN1C(=O)C(C)(C)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1

HCID68675743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd03c8fe11114fd9ac3436ef47c54f32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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