HRID1116646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID563347

1-Benzyl-1H-benzimidazole

C14H12N2

HCID2758812

Ethyl N-Boc-piperidine-4-carboxylate

C13H23NO4

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2Cc2ccccc2)CC1

HCID54404193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1e2be8a8957484eb40eac1d3fb94e20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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