HRID283875

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)cc1)C(=O)O

HCID4164897

N-(tert-Butoxycarbonyl)-4-chlorophenylalanine

C14H18ClNO4

HCID67339047

未命名化合物

PRODUCTS

生成物

结构：CC1CCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)cc4)NC(=O)OC(C)(C)C)CC3C)c21

HCID90783520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bf7e3d7ba05481eb4507ae2124533e1
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: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][cH:42][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:71][CH2:72][Cl:73].[ClH:1].[ClH:2].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]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][cH:42][c:43]([Cl:46])[cH:44][cH:45]4)=[O:37])[CH2:17][CH2:18]3)[c:12]21