HRID208129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID7261

2,4-Diaminotoluene

C7H10N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1CCN(Cc2ccc(C(=O)Cl)cc2C(F)(F)F)CC1

HCID23073546

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N

HCID23145958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-867b85c5488a4882b220da6a8d706c6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:21][N:22]1[CH2:23][CH2:24][N:25]([CH2:28][c:29]2[c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:33](=[O:34])[Cl:35])[cH:36][cH:37]2)[CH2:26][CH2:27]1.[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH3:51][C:52]#[N:53].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[ClH:19].[ClH:20].[NH2:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([NH2:8])[cH:7]1>>[NH2:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([NH:8][C:33]([c:32]2[cH:31][c:30]([C:38]([F:39])([F:40])[F:41])[c:29]([CH2:28][N:25]3[CH2:24][CH2:23][N:22]([CH3:21])[CH2:27][CH2:26]3)[cH:37][cH:36]2)=[O:34])[cH:7]1