HRID675893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

结构：O=C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1

HCID68848147

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(CC(O)CCCc1ncccn1)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1

HCID68848626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d5a984081234383a53a32945c01e8a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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