HRID169955

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-

HCID13779253

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(C2CCCC2)cc1

HCID21568353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0a621f862a24aa8bb9a83431ba5edfc
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:38](=[O:39])([OH:40])[O-:41].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:31][cH:32]1.[I-:44].[K+:42].[K+:43].[OH2:52].[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:21].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][CH2:24][C:25](=[O:26])[c:27]3[cH:28][cH:29][c:30]([CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37]4)[cH:31][cH:32]3)[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