HRID1152706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID12910381

N,2,2-Trimethylpropan-1-amine

C6H15N

结构：CNC(=O)c1ccc(C)c(Nc2cc(F)nc(NC3CCN(C(=O)OC(C)(C)C)C3)n2)c1

HCID67446771

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(C)c(Nc2cc(N(C)CC(C)(C)C)nc(NC3CCN(C(=O)OC(C)(C)C)C3)n2)c1

HCID67444258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-601c5c2a17fe4a3ba866f979a6fa1cfb
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:13][c:14]2[n:15][c:16]([NH:21][c:22]3[c:23]([CH3:32])[cH:24][cH:25][c:26]([C:28]([NH:29][CH3:30])=[O:31])[cH:27]3)[cH:17][c:18]([F:20])[n:19]2)[CH2:11][CH2:12]1.[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:34][NH:35][CH2:36][C:37]([CH3:38])([CH3:39])[CH3:40].[ClH:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:13][c:14]2[n:15][c:16]([NH:21][c:22]3[c:23]([CH3:32])[cH:24][cH:25][c:26]([C:28]([NH:29][CH3:30])=[O:31])[cH:27]3)[cH:17][c:18]([N:35]([CH3:34])[CH2:36][C:37]([CH3:38])([CH3:39])[CH3:40])[n:19]2)[CH2:11][CH2:12]1