HRID146149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID1514290

Azetidin-3-ol

C3H7NO

结构：Cc1nc(C(C)(C)NC(=O)c2ccc(Br)c(OCC3CC3)n2)no1

HCID71093545

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(C)(C)NC(=O)c2ccc(N3CC(O)C3)c(OCC3CC3)n2)no1

HCID71093664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9df28874a8e64eb295dfc4300d1cc0f2
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:25](=[O:26])([O-:27])[O-:28].[CH3:1][C:2]([CH3:3])([c:4]1[n:5][o:6][c:7]([CH3:9])[n:8]1)[NH:10][C:11](=[O:12])[c:13]1[n:14][c:15]([O:20][CH2:21][CH:22]2[CH2:23][CH2:24]2)[c:16]([Br:19])[cH:17][cH:18]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:31].[Cs+:29].[Cs+:30].[NH:32]1[CH2:33][CH:34]([OH:36])[CH2:35]1.[OH2:50]>>[CH3:1][C:2]([CH3:3])([c:4]1[n:5][o:6][c:7]([CH3:9])[n:8]1)[NH:10][C:11](=[O:12])[c:13]1[n:14][c:15]([O:20][CH2:21][CH:22]2[CH2:23][CH2:24]2)[c:16]([N:32]2[CH2:33][CH:34]([OH:36])[CH2:35]2)[cH:17][cH:18]1