HRID320307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID2763079

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one

C11H15ClN2O

HCID13076388

(2,4-Difluorophenyl)(piperidin-4-yl)methanone

C12H13F2NO

PRODUCTS

生成物

结构：Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3F)CC1)CCCC2

HCID29941101

DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone

C23H27F2N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-671ed2a67fcc418d8f9487946c5de3fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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