HRID698277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：Cc1c(C=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11824338

未命名化合物

HCID15051945

10-Ethyl-8,9-dihydropyrido[1,2-a]indol-6(7H)-one

C14H15NO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCc1c2n(c3ccccc13)C(=O)C(C(O)c1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)CC2

HCID10053660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28ae54fb0a3a402fa52222e31576f578
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:13]([CH3:14])[c:15]1[c:16]2[n:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]13)[C:24](=[O:28])[CH2:25][CH2:26][CH2:27]2.[CH3:29][c:30]1[c:31]([CH:54]=[O:55])[n:32][cH:33][n:34]1[C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li:8][CH2:9][CH2:10][CH2:11][CH3:12].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:73].[OH:56][C:57]([C:58](=[O:59])[OH:60])=[O:61]>>[CH2:13]([CH3:14])[c:15]1[c:16]2[n:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]13)[C:24](=[O:28])[CH:25]([CH:54]([c:31]1[c:30]([CH3:29])[n:34]([C:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:33][n:32]1)[OH:55])[CH2:26][CH2:27]2