HRID1149229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID327357

4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate

C9H7N3O3

结构：CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID11678088

未命名化合物

PRODUCTS

生成物

结构：CCON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(C)=O

HCID11599432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8454344b5c5c4c7ebf26c8df97fde92c
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:30]([CH3:31])(=[O:32])[O:33][n:34]1[c:35](=[O:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1.[CH2:1]([CH3:2])[O:3][NH:4][CH2:5][c:6]1[c:7]([F:29])[c:8]([F:28])[c:9]([NH:19][c:20]2[c:21]([F:27])[cH:22][c:23]([I:26])[cH:24][cH:25]2)[c:10]([C:11](=[O:12])[NH:13][O:14][CH2:15][CH2:16][OH:17])[cH:18]1.[CH3:45][C:46](=[O:47])[OH:48]>>[CH2:1]([CH3:2])[O:3][N:4]([CH2:5][c:6]1[c:7]([F:29])[c:8]([F:28])[c:9]([NH:19][c:20]2[c:21]([F:27])[cH:22][c:23]([I:26])[cH:24][cH:25]2)[c:10]([C:11](=[O:12])[NH:13][O:14][CH2:15][CH2:16][OH:17])[cH:18]1)[C:30]([CH3:31])=[O:32]