HRID207291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

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

HCID4450951

未命名化合物

HCID22615531

3-(4-Chlorophenoxy)azetidine

C9H10ClNO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)N1CC(Oc2ccc(Cl)cc2)C1)C(=O)OCc1ccccc1

HCID69409256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a008771e37ce41d59bb034ebb257d421
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

[B-:33]([F:34])([F:35])([F:36])[F:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][C:12](=[O:13])[OH:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:56][c:57]1[cH:58][cH:59][c:60]([O:61][CH:62]2[CH2:63][NH:64][CH2:65]2)[cH:66][cH:67]1.[Cl:68][CH2:69][Cl:70].[ClH:55].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][C:12](=[O:14])[N:64]1[CH2:63][CH:62]([O:61][c:60]2[cH:59][cH:58][c:57]([Cl:56])[cH:67][cH:66]2)[CH2:65]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23]