HRID1552033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7410

Acetophenone

C8H8O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID57421842

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：O=C(CC(=O)C1CCN(C(=O)Oc2cccnc2)CC1)c1ccccc1

HCID58270711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edb1a909f48a4ece89e78eec10b692f7
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

[C:46]([n:47]1[cH:48][cH:49][n:50][cH:51]1)([n:52]1[cH:53][cH:54][n:55][cH:56]1)=[O:57].[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:19][C:20](=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[ClH:58].[OH2:70].[n:28]1[cH:29][c:30]([O:34][C:35](=[O:36])[N:37]2[CH2:38][CH2:39][CH:40]([C:43](=[O:44])[OH:45])[CH2:41][CH2:42]2)[cH:31][cH:32][cH:33]1>>[CH2:19]([C:20](=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:43]([CH:40]1[CH2:39][CH2:38][N:37]([C:35]([O:34][c:30]2[cH:29][n:28][cH:33][cH:32][cH:31]2)=[O:36])[CH2:42][CH2:41]1)=[O:44]