HRID101228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID784

Hydrogen peroxide

H2O2

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

HCID7969

Benzenethiol

C6H6S

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24465

未命名化合物

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

HCID5360545

Sodium

HCID178477990

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

HCID11202088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2561f7581bd04380a31aa9b5be1420fa
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

[CH3:26][N:27]1[CH2:28][CH2:29][CH2:30][C:31]1=[O:32].[CH:43]([OH:44])=[O:45].[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.[Cl:48][c:49]1[c:50]2[n:51][n:52][nH:53][c:54]2[cH:55][cH:56][cH:57]1.[ClH:42].[K+:34].[Na:58].[O-:59][W:60](=[O:61])(=[O:62])[O-:63].[OH-:33].[OH2:72].[OH:46][OH:47].[SH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:64]1([CH3:65])[c:66]([CH3:67])[cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([S:35](=[O:33])([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:46])[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