HRID104725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7969

Benzenethiol

C6H6S

结构：CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

HCID77470

Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-

C20H24ClN3O

HCID178418385

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(-n2nc3ccc(Sc4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

HCID19349150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3654dca65c342c69f0d96fc7594fe5e
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

[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][n:7](-[c:9]3[c:10]([OH:23])[c:11]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]3)[n:8]2)[cH:24][cH:25]1.[Na+:34].[OH-:33].[OH2:44].[SH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[nH:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[c:2]1([S:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:3][c:4]2[c:5]([n:6][n:7](-[c:9]3[c:10]([OH:23])[c:11]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]3)[n:8]2)[cH:24][cH:25]1