HRID2345940

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)(C)CC1NC(C(=O)N2CCN(CC(=O)NCCC3COC(C)(C)O3)CC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID72272561

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)N2CCN(CC(=O)NCCC(O)CO)CC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID72243935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16b350c7adef43c99253f97f9d93bcd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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