HRID2123690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

结构：CCOC(=O)CC1CN=C(c2cc3cc(OCCOC)cc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)S1

HCID59303535

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CCO)S3)cc2c1

HCID68458678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f61f20a42234ef7a8d43dfadd3f2f65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:43].[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:25]3=[N:29][CH2:28][CH:27]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[S:26]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][cH:21][cH:22][cH:23]2)[CH3:24])[cH:14]1.[CH3:41][OH:42].[Li+:44].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:45]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:25]3=[N:29][CH2:28][CH:27]([CH2:30][CH2:31][OH:32])[S:26]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][cH:21][cH:22][cH:23]2)[CH3:24])[cH:14]1