HRID1545656

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

HCID11084553

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

C12H11NO

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

HCID11824338

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1c(C(O)C2CCc3cc4ccccc4n3C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11756993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0057b5a3465427ba477315360719eec
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

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