HRID2140073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

反应SMILES：CC(C)N(CC(C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C

HCID25178697

3-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid

C17H24ClNO4

HCID59671115

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)N(CC(C(=O)N1CCN(c2ncnc3c2CCC3O)CC1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C

HCID66617981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-87fc5dc3094d4eee80d740746aafc8c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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