HRID124364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CCc1ccc(OCc2ccc(CN(CCC(C)C)c3nc(C(C)C)cs3)cc2)cc1

HCID57541858

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN(Cc1ccc(COc2ccc(CCC(=O)O)cc2)cc1)c1nc(C(C)C)cs1

HCID57541972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bf6b6cfe2f54029b2650a9d46cce933
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

[CH3:38][OH:39].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([N:9]([CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:26][cH:27]3)[cH:34][cH:35]2)[s:7][cH:8]1.[ClH:37].[Na+:46].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:45].[OH2:36]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([N:9]([CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27]3)[cH:34][cH:35]2)[s:7][cH:8]1