HRID2159822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID739193

STK362959

C14H21NO2

HCID1491573

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(Cc2nc(C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCC3)cs2)cc1

HCID11282733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e1933287a2eb45668b9826e84c927754
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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