HRID296715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

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

HCID66846213

未命名化合物

PRODUCTS

生成物

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

HCID77269923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0674cbc9cafc4318a16e55d95725bf01
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:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]([CH2:29][CH:30]([C:31](=[O:32])[OH:33])[c:34]1[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]1)[CH:41]([CH3:42])[CH3:43].[C:77](=[O:78])([O-:79])[O-:80].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:83][CH2:84][Cl:85].[ClH:1].[ClH:2].[F:3][C:4]1([F:20])[CH2:5][CH:6]([CH3:19])[c:7]2[c:8]1[n:9][cH:10][n:11][c:12]2[N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[Na+:81].[Na+:82].[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>>[F:3][C:4]1([F:20])[CH2:5][CH:6]([CH3:19])[c:7]2[c:8]1[n:9][cH:10][n:11][c:12]2[N:13]1[CH2:14][CH2:15][N:16]([C:31]([CH:30]([CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH:41]([CH3:42])[CH3:43])[c:34]2[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]2)=[O:32])[CH2:17][CH2:18]1