HRID1146663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID3744988

4-Fluorophenylacetyl chloride

C8H6ClFO

结构：CSc1nccc(C(=O)N(C)NC2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID69847770

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(C(=O)N(C)N(C(=O)Cc2ccc(F)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID60061140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8db923ef714f4053abbacff2bc20525c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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