HRID1541282

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)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

HCID67339145

未命名化合物

PRODUCTS

生成物

结构：CC1CCc2ncnc(N3CCN(C(=O)C(CN(C(=O)OC(C)(C)C)C(C)C)c4ccc(Cl)cc4)CC3)c21

HCID74399518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db9cb6bbb3dd447b8d70857de66ef9e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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].[CH3:3][CH:4]1[CH2:5][CH2:6][c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:12]21.[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[Cl:66][CH2:67][Cl:68].[ClH:1].[ClH:2].[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>>[CH3:3][CH:4]1[CH2:5][CH2:6][c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([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]4[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]4)=[O:30])[CH2:17][CH2:18]3)[c:12]21