HRID1133291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID270655

Boc-DL-valine

C10H19NO4

结构：CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1ccccc1

HCID59317181

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCC1(c2ccccc2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C

HCID178449820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7156d06cb43442990639c80cdd5c0df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:29][C:30]([CH3:31])([O:32][C:33](=[O:34])[NH:35][CH:36]([C:37](=[O:38])[OH:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[Cl:66][CH2:67][Cl:68].[ClH:44].[O:1]=[C:2]1[N:3]([c:17]2[cH:18][c:19]([C:25]([F:26])([F:27])[F:28])[c:20]([C:21]#[N:22])[cH:23][cH:24]2)[C:4](=[O:16])[C:5]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][OH:15])[N:6]1[CH3:7].[OH2:56]>>[O:1]=[C:2]1[N:3]([c:17]2[cH:18][c:19]([C:25]([F:26])([F:27])[F:28])[c:20]([C:21]#[N:22])[cH:23][cH:24]2)[C:4](=[O:16])[C:5]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][O:15][C:37]([CH:36]([NH:35][C:33]([O:32][C:30]([CH3:29])([CH3:31])[CH3:43])=[O:34])[CH:40]([CH3:41])[CH3:42])=[O:38])[N:6]1[CH3:7]