HRID284090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6332

Bromoethane

C2H5Br

HCID8028

Tetrahydrofuran

C4H8O

HCID12748

4-Methylthiazole

C4H5NS

HCID28123

Tetrahydroborate

H4B-

HCID98621

1-(4-Chlorophenyl)cyclobutanecarbonitrile

C11H10ClN

HCID5462224

Magnesium

反应SMILES：Cc1csc(C(=N)C2(c3ccc(Cl)cc3)CCC2)n1

HCID20041057

未命名化合物

HCID178461628

未命名化合物

PRODUCTS

产物

HCID20041061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01183c65fdb14c6cbfce9f06086d5027
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[BH4-:50].[Br-:7].[CH2:12]([Br:13])[CH3:14].[CH2:8]([Mg+:9])[CH3:10].[CH3:1][c:2]1[n:3][cH:4][s:5][cH:6]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:22]2([C:26]#[N:27])[CH2:23][CH2:24][CH2:25]2)[cH:20][cH:21]1.[Cl:31][c:32]1[cH:33][cH:34][c:35]([C:36]2([C:42](=[NH:43])[c:44]3[s:45][cH:46][c:47]([CH3:49])[n:48]3)[CH2:37][CH2:38][CH2:39]2)[cH:40][cH:41]1.[ClH:30].[Mg:11].[Na+:29].[Na+:51].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH-:28].[OH2:52]>>[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:22]2([NH:43][CH2:42][c:44]3[s:45][cH:46][c:47]([CH3:49])[n:48]3)[CH2:23][CH2:24][CH2:25]2)[cH:20][cH:21]1