HRID197543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID185647

1,1,2-Trifluoroethan-1-ol

C2H3F3O

HCID16778205

3-[2-(Dimethylamino)ethoxy]aniline

C10H16N2O

HCID59452778

未命名化合物

PRODUCTS

产物

HCID59452804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5b3636a4b1eb4f3a8c4fe105ce28d36c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:29][N:30]([CH2:31][CH2:32][O:33][c:34]1[cH:35][c:36]([NH2:37])[cH:38][cH:39][cH:40]1)[CH3:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:25][CH3:26])[c:21]([C:22]#[N:23])[cH:24]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:27].[ClH:28].[ClH:42].[F:48][CH2:49][C:50]([F:51])([F:52])[OH:53].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[c:2]1([NH:37][c:36]2[cH:35][c:34]([O:33][CH2:32][CH2:31][N:30]([CH3:29])[CH3:41])[cH:40][cH:39][cH:38]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:25][CH3:26])[c:21]([C:22]#[N:23])[cH:24]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1