HRID822215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13097

Triphenylphosphine oxide

C18H15OP

HCID28123

Tetrahydroborate

H4B-

结构：COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NC(C(=O)OC)CS3)cc2c1

HCID178496150

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NC(CO)CS3)cc2c1

HCID24899513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c533989e7c5d4e939ea583571ec836d5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BH4-:55].[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:26]3=[N:30][CH:29]([C:31](=[O:32])[O:33][CH3:34])[CH2:28][S:27]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[cH:14]1.[CH3:57][OH:58].[Na+:56].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:64].[c:35]1([P:36](=[O:37])([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:26]3=[N:30][CH:29]([CH2:31][OH:32])[CH2:28][S:27]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[cH:14]1