HRID162220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID15723

Azacyclonol

C18H21NO

HCID30165

Iodide ion

I-

HCID21552993

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)c1ccc(C(=O)CCCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

HCID21552958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f52cfc6a33434694fbca9fb28c9d6b
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

[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][cH:27][c:28]([C:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][Cl:37])=[O:38])[cH:29][cH:30]1.[C:39](=[O:40])([OH:41])[O-:42].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[I-:45].[K+:43].[K+:44].[OH2:53].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:37].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][C:31]([c:28]3[cH:27][cH:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:30][cH:29]3)=[O:38])[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1