HRID2148912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(C2=NC(=O)CS2)CC1CO

HCID67239506

未命名化合物

结构：O=Cc1ccc2c(c1)c(I)nn2Cc1ccc(C(F)(F)F)cc1C(F)(F)F

HCID86654585

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc4c(c3)c(I)nn4Cc3ccc(C(F)(F)F)cc3C(F)(F)F)S2)CC1CO

HCID76756326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fad31073da5f43c39f7afe86438ad8d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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