HRID184964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

HCID31275

1,4-Dioxane

C4H8O2

结构：Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(NC(=O)C4CCNCC4)c3)ccc21

HCID59790243

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(C(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1

HCID59789963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4edfc7bad7d74b1182d400ddda8b9ea0
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

[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[F:1][c:2]1[c:3]([NH:12][c:13]2[n:14][c:15]3[c:16]([n:17]2[CH3:18])[cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][c:26]([NH:30][C:31](=[O:32])[CH:33]4[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]4)[n:27][cH:28][cH:29]2)[cH:22]3)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[F:1][c:2]1[c:3]([NH:12][c:13]2[n:14][c:15]3[c:16]([n:17]2[CH3:18])[cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][c:26]([NH:30][C:31](=[O:32])[CH:33]4[CH2:34][CH2:35][N:36]([C:40]([CH3:39])=[O:41])[CH2:37][CH2:38]4)[n:27][cH:28][cH:29]2)[cH:22]3)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1