HRID116030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID192794

Methyl beta-alanate

C4H9NO2

结构：CCCCCCC(Oc1ccc(C(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID67342206

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(Oc1ccc(C(=O)NCCC(=O)OC)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID67153427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52f45f8e2f084340853416158f3e5698
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:34]([N:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[CH3:40].[CH2:59]([Cl:60])[Cl:61].[CH3:41][O:42][C:43]([CH2:44][CH2:45][NH2:46])=[O:47].[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[CH3:62][N:63]([c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1)[CH3:70].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[O:22][c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]3)[cH:13][n:14]2)[cH:7][cH:8]1)([F:32])[F:33]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[O:22][c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:46][CH2:45][CH2:44][C:43]([O:42][CH3:41])=[O:47])[cH:30][cH:31]3)[cH:13][n:14]2)[cH:7][cH:8]1)([F:32])[F:33]