HRID2328235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CCO)cc2)C(OCc2cc(OCOCC[Si](C)(C)C)c3ccccc3c2)C1

HCID86604449

未命名化合物

HCID178418793

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CCSc3ncccn3)cc2)C(OCc2cc(OCOCC[Si](C)(C)C)c3ccccc3c2)C1

HCID53653393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e07ee47766d4e6293999fd076d2b649
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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