HRID1240060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID537908

Ethyl isopropoxyacetate

C7H14O3

结构：Cc1cc(C=O)cc(C)c1OCCc1nc(C2CCCCC2)oc1C

HCID21949659

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(OC(C)C)C(O)c1cc(C)c(OCCc2nc(C3CCCCC3)oc2C)c(C)c1

HCID69489666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b7d32d5052f48468407a4b23af01c7d
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

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