HRID1555107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID260

Hydrogen Bromide

BrH

2 次

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID8019

2-Methoxyethanol

C3H8O2

HCID8030

Thiophene

C4H4S

HCID96650

3-Piperidinone, 1-(phenylmethyl)-

C12H15NO

HCID123618

Tecastemizole

C19H21FN4

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(Cn2c(NC3CCN(C4CCCN(Cc5ccccc5)C4)CC3)nc3ccccc32)cc1

HCID13588070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-280ac14f669e4595b54df161405b1eeb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BrH:16].[BrH:17].[CH3:48][C:49](=[O:50])[O-:51].[CH3:54][CH2:55][OH:56].[CH3:57][O:58][CH2:59][CH2:60][OH:61].[ClH:1].[F:18][c:19]1[cH:20][cH:21][c:22]([CH2:25][n:26]2[c:27]([NH:35][CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[n:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][cH:34]3)[cH:23][cH:24]1.[H:52][H:53].[K+:47].[c:2]1([CH2:8][N:9]2[CH2:10][C:11](=[O:15])[CH2:12][CH2:13][CH2:14]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1.[cH:42]1[cH:43][s:44][cH:45][cH:46]1>>[c:2]1([CH2:8][N:9]2[CH2:10][CH:11]([N:39]3[CH2:38][CH2:37][CH:36]([NH:35][c:27]4[n:26]([CH2:25][c:22]5[cH:21][cH:20][c:19]([F:18])[cH:24][cH:23]5)[c:30]5[c:29]([n:28]4)[cH:34][cH:33][cH:32][cH:31]5)[CH2:41][CH2:40]3)[CH2:12][CH2:13][CH2:14]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1