HRID299656

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：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

HCID178426804

未命名化合物

PRODUCTS

生成物

结构：CC1CC(C)(O)c2ncnc(N3CCN(C(=O)C(CN(C(=O)OC(C)(C)C)C(C)C)c4ccc(Cl)cc4)CC3)c21

HCID178426805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b7278ae8dc74116a6ca0fbc18bfaaf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]([CH2:38][CH:39]([C:40](=[O:41])[OH:42])[c:43]1[cH:44][cH:45][c:46]([Cl:49])[cH:47][cH:48]1)[CH:50]([CH3:51])[CH3:52].[CH3:12][CH:13]1[CH2:14][C:15]([OH:28])([CH3:29])[c:16]2[n:17][cH:18][n:19][c:20]([N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[c:21]21.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:77][CH2:78][Cl:79].[ClH:10].[ClH:11].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[CH3:12][CH:13]1[CH2:14][C:15]([OH:28])([CH3:29])[c:16]2[n:17][cH:18][n:19][c:20]([N:22]3[CH2:23][CH2:24][N:25]([C:40]([CH:39]([CH2:38][N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH:50]([CH3:51])[CH3:52])[c:43]4[cH:44][cH:45][c:46]([Cl:49])[cH:47][cH:48]4)=[O:41])[CH2:26][CH2:27]3)[c:21]21