HRID1133948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2734658

(Bromomethyl)cyclobutane

C5H9Br

结构：COc1ccc2c(c1)C13CCNC(C2)C1(OC)C(C)CC(=O)C3

HCID178486998

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc2c(c1)C13CCN(CC4CCC4)C(C2)C1(OC)C(C)CC(=O)C3

HCID178487003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e41b5b71fb148498ebe602ab8eeb254
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]2[c:21]([cH:22]1)[C:20]13[C:15]([O:28][CH3:29])([CH:14]([CH2:13]2)[NH:25][CH2:24][CH2:23]1)[CH:16]([CH3:27])[CH2:17][C:18](=[O:26])[CH2:19]3.[CH:30]1([CH2:34][Br:35])[CH2:31][CH2:32][CH2:33]1.[ClH:6].[Na+:5].[O-:1][C:2]([OH:3])=[O:4]>>[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]2[c:21]([cH:22]1)[C:20]13[C:15]([O:28][CH3:29])([CH:14]([CH2:13]2)[N:25]([CH2:34][CH:30]2[CH2:31][CH2:32][CH2:33]2)[CH2:24][CH2:23]1)[CH:16]([CH3:27])[CH2:17][C:18](=[O:26])[CH2:19]3.[ClH:6]