HRID1240236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID57917574

未命名化合物

HCID66878349

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)cc3)CC2)c1)C(F)(F)F

HCID57917661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a04b22e1654c478e83f57546e4bd70bd
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

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