HRID1211469

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

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID618233

1-Tritylimidazole-4-carboxaldehyde

C23H18N2O

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)CC(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID21879633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca01a4a8ec4140f39a6c60be4c6f3e19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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