HRID291662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

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

HCID68757504

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CC(C(=O)N1CCN(c2c(C#N)cnc3[nH]ncc23)CC1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C

HCID68757533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e5460010ae94aedb6da523ae1fb1e3b
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

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