HRID834713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID834606

N-[(2-Chlorophenyl)methyl]cyclopropanamine

C10H12ClN

结构：CC(C)(C)OC(=O)NC1CC(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

HCID57870292

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CC(C(=O)N(Cc2ccccc2Cl)C2CC2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

HCID69067628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4179fcf3e57140428d6231c82a2c987c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH:52]([CH3:53])[CH3:54])[CH3:55].[CH2:56]([P:57]([OH:58])([OH:59])=[O:60])[CH2:61][CH3:62].[CH3:63][C:64]([N:65]([CH3:66])[CH3:67])=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:35][c:36]1[c:37]([CH2:38][NH:39][CH:40]2[CH2:41][CH2:42]2)[cH:43][cH:44][cH:45][cH:46]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[N:18]1[CH2:19][CH:20]([C:32](=[O:33])[OH:34])[CH2:21][CH:22]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[N:18]1[CH2:19][CH:20]([C:32](=[O:33])[N:39]([CH2:38][c:37]3[c:36]([Cl:35])[cH:46][cH:45][cH:44][cH:43]3)[CH:40]3[CH2:41][CH2:42]3)[CH2:21][CH:22]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1