HRID203841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2774589

4-Fluoro-3-methylbenzoyl chloride

C8H6ClFO

HCID66928502

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2ccc(OCC3CCCN3C)c(-c3ccnn3C)c2)ccc1F

HCID11531901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6377e4485d90402c93f2a13b58a10100
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

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