HRID188681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Cl)c(F)c1)C(=O)O

HCID64141826

Phenylalanine, 4-chloro-N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-

C14H17ClFNO4

HCID67339047

未命名化合物

PRODUCTS

生成物

结构：CC1CCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)NC(=O)OC(C)(C)C)CC3C)c21

HCID91590360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3c1044d01fa4255ac000b6fb9b39966
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

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