HRID167812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1514290

Azetidin-3-ol

C3H7NO

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)ccc23)CC1

HCID59551736

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(OC4CNC4)ccc23)CC1

HCID59551749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5912f2f976264e6ca0ee7723da0b8d04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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