HRID308541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID10241

9-Fluorenone

C13H8O

结构：CCC(C)(C)c1cc(-n2nc3ccccc3[n+]2[O-])c(O)c(C(C)(C)CC)c1

HCID11143110

2-(2H-Benzotriazol-2-yl)-4,6-bis(tert-pentyl)phenol N-oxide

C22H29N3O2

PRODUCTS

生成物

结构：CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1

HCID33263

2-(2-Hydroxy-3,5-di-tert-pentylphenyl)benzotriazole

C22H29N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aac1fd2a2dfe4d1db92162485c864cdf
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

[CH2:28]([OH:29])[CH2:30][CH2:31][CH3:32].[Na+:34].[OH-:33].[OH2:49].[OH:1][c:2]1[c:3](-[n:18]2[n:19][c:20]3[c:21]([n+:22]2[O-:23])[cH:24][cH:25][cH:26][cH:27]3)[cH:4][c:5]([C:13]([CH3:14])([CH3:15])[CH2:16][CH3:17])[cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[CH2:11][CH3:12].[cH:35]1[c:36]2[c:45]([cH:46][cH:47][cH:48]1)-[c:40]1[c:39]([cH:44][cH:43][cH:42][cH:41]1)[C:37]2=[O:38]>>[OH:1][c:2]1[c:3](-[n:18]2[n:19][c:20]3[c:21]([n:22]2)[cH:24][cH:25][cH:26][cH:27]3)[cH:4][c:5]([C:13]([CH3:14])([CH3:15])[CH2:16][CH3:17])[cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[CH2:11][CH3:12]