HRID682901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID3157461

1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

C8H12N2O

HCID67366959

2-(4-Fluorophenyl)-3-(1-piperazinyl)pyrazine

C14H15FN4

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCn1nc(C)c(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c1C

HCID59322019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26710a5cd3624b58a3e4a42b2d71c6a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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