HRID1217995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

反应SMILES：CC(C)(C)c1cc(C=C2Sc3ccccc3NC2=O)cc(C(C)(C)C)c1O

HCID53806442

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CCOC(=O)CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Sc2ccccc21

HCID57306286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ba46a0be253744e2bbf432d3d9fcf676
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

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