HRID114462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2763006

3-(iodomethyl)oxolane

C5H9IO

结构：CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)OC(C)(C)C)c(O)nc3c2)n1

HCID136648749

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)OC(C)(C)C)c(OCC4CCOC4)nc3c2)n1

HCID91439787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b28327ed0f3e420b911dc18cd62f6955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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