HRID89224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID240

Benzaldehyde

C7H6O

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1OC

HCID25057409

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3)CC4)c2)cc1OC

HCID25055846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce8435a72e9146078c50c68b8c0d4d4a
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:35]([OH:36])(=[O:37])[CH3:38].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:2][O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][c:13]([C:17]([NH:18][c:19]3[cH:20][cH:21][c:22]4[c:27]([cH:28]3)[CH2:26][NH:25][CH2:24][CH2:23]4)=[O:29])[cH:14][cH:15][cH:16]2)[cH:30][cH:31][c:32]1[O:33][CH3:34].[CH:39](=[O:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[ClH:1]>>[CH3:2][O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][c:13]([C:17]([NH:18][c:19]3[cH:20][cH:21][c:22]4[c:27]([cH:28]3)[CH2:26][N:25]([CH2:39][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:24][CH2:23]4)=[O:29])[cH:14][cH:15][cH:16]2)[cH:30][cH:31][c:32]1[O:33][CH3:34]