HRID121937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID3826051

未命名化合物

结构：COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)OC)cc12

HCID59855830

未命名化合物

PRODUCTS

生成物

结构：COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12

HCID11589218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fed7ad598eb410c876d40382fd0b616
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

[CH3:32][O-:33].[CH3:37][OH:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl-:35].[Cl:45][CH2:46][Cl:47].[ClH:29].[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][c:7]([CH2:18][O:19][CH2:20][CH2:21][O:22][CH3:23])[c:8]3[c:9]2[cH:10][n:11][c:12]([C:14]([O:16][CH3:15])=[O:17])[cH:13]3)[cH:24][cH:25][c:26]([F:28])[cH:27]1.[NH2:30][OH:31].[NH4+:36].[Na+:34]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][c:7]([CH2:18][O:19][CH2:20][CH2:21][O:22][CH3:23])[c:8]3[c:9]2[cH:10][n:11][c:12]([C:14](=[O:16])[NH:30][OH:31])[cH:13]3)[cH:24][cH:25][c:26]([F:28])[cH:27]1