HRID1536961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID31268

Pyrrolidine

C4H9N

HCID178418339

Butyllithium

C4H9Li

结构：CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)NC(C)OC)C21

HCID178447454

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)NC(C)OC)C21

HCID178445429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75faf996dae0455fb16ab6db33cbeb2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5]1.[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:11][O:12][CH:13]([CH3:14])[NH:15][C:16]([CH2:17][CH:18]([CH2:19][CH:20]([CH2:21][CH2:22][CH:23]1[CH:24]([CH3:41])[CH:25]=[CH:26][C:27]2=[CH:28][CH:29]([CH3:40])[CH2:30][CH:31]([O:33][C:34]([CH:35]([CH2:36][CH3:37])[CH3:38])=[O:39])[CH:32]12)[OH:42])[OH:43])=[O:44].[CH3:45][I:46].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl-:47].[NH4+:48].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:60]>>[CH3:1][C:35]([C:34]([O:33][CH:31]1[CH2:30][CH:29]([CH3:40])[CH:28]=[C:27]2[CH:26]=[CH:25][CH:24]([CH3:41])[CH:23]([CH2:22][CH2:21][CH:20]([CH2:19][CH:18]([CH2:17][C:16]([NH:15][CH:13]([O:12][CH3:11])[CH3:14])=[O:44])[OH:43])[OH:42])[CH:32]21)=[O:39])([CH2:36][CH3:37])[CH3:38]