HRID1218175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID46835421

7-(Trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine

C10H10F3NO

HCID76582928

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCOc2cc(C(F)(F)F)ccc21)N1CCCC1c1ncnn1Cc1ccc(Cl)cc1

HCID68811746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b231dc119b4e46d69e259f855d280b46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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