HRID298614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)NC1(c2ccccc2)CCN(C(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(CN)c2ccc(Cl)c(Cl)c2)CC1

HCID57014931

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC(CC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(NC(C)=O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1

HCID86752337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a2438ac3cfd4c2ab371d43987b7ee3c
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:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:6][CH2:7][N:8]([CH:11]([CH2:12][CH:13]([CH2:14][NH2:15])[c:16]2[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:24][c:25]2[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)[CH2:9][CH2:10]1.[CH3:45][C:46](=[O:47])[O:48][C:49](=[O:50])[CH3:51].[CH3:66][N:67]([CH3:68])[c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1.[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[Cl:76][CH2:77][Cl:78].[ClH:75].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:79]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:6][CH2:7][N:8]([CH:11]([CH2:12][CH:13]([CH2:14][NH:15][C:46]([CH3:45])=[O:47])[c:16]2[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:24][c:25]2[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)[CH2:9][CH2:10]1