HRID108815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(Cc2nn(C(=O)OC(C)(C)C)c3ccccc23)c2nnc(-c3ccccc3)n2-c2cc(F)c(F)cc21

HCID69312706

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2cc(F)c(F)cc21

HCID178457047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4279d1f7b5944e38165be17d15b6776
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[n:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:54])[N:20]([CH2:40][C:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)=[O:53])[c:21]3[c:22]([cH:34][c:35]([F:39])[c:36]([F:38])[cH:37]3)-[n:23]3[c:24](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:25][n:26][c:27]32)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12)([CH3:5])([CH3:6])[CH3:7].[ClH:55].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1>>[nH:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:54])[N:20]([CH2:40][C:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)=[O:53])[c:21]3[c:22]([cH:34][c:35]([F:39])[c:36]([F:38])[cH:37]3)-[n:23]3[c:24](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:25][n:26][c:27]32)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12