HRID160078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8012

1-Butanethiol

C4H10S

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

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

PRODUCTS

生成物

结构：CCCCSc1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1

HCID18672839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22b31b4ea73c484486518ccb1d530f81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:26]([CH2:27][CH2:28][CH3:29])[SH:30].[CH3:33][N:34]1[CH2:35][CH2:36][CH2:37][C:38]1=[O:39].[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.[ClH:40].[K+:32].[OH-:31]>>[c:2]1([S:30][CH2:26][CH2:27][CH2:28][CH3:29])[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