HRID92141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

结构：COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1

HCID71360

Iloperidone

C24H27FN2O4

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(C(C)=NO)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1

HCID73856699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4cbdb86030e45509f0e5198e4e4ce73
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

[CH3:36][C:37](=[O:38])[O-:39].[ClH:32].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]4[c:20]([O:28][CH3:29])[cH:21][c:22]([C:25]([CH3:26])=[O:27])[cH:23][cH:24]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:30][cH:31]1.[NH2:33][OH:34].[NH4+:35].[OH2:40]>>[ClH:32].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]4[c:20]([O:28][CH3:29])[cH:21][c:22]([C:25]([CH3:26])=[N:33][OH:34])[cH:23][cH:24]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:30][cH:31]1