HRID321301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID27946

1-Pyrrolidinamine

C4H10N2

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C)c1nc(NC2CCN(C(=O)OC(C)(C)C)C2)nc2c1sc1ccccc12

HCID178483058

未命名化合物

PRODUCTS

生成物

HCID178483056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c9e96cd87104e759f1b0d155a45566e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:36][OH:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:7][N:8]([c:9]1[c:10]2[c:11]([n:12][c:13]([NH:15][CH:16]3[CH2:17][N:18]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:19][CH2:20]3)[n:14]1)[c:28]1[c:29]([s:30]2)[cH:31][cH:32][cH:33][cH:34]1)[CH3:35].[ClH:50].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH3:7][N:8]([c:9]1[c:10]2[c:11]([n:12][c:13]([NH:15][CH:16]3[CH2:17][NH:18][CH2:19][CH2:20]3)[n:14]1)[c:28]1[c:29]([s:30]2)[cH:31][cH:32][cH:33][cH:34]1)[CH3:35]