HRID98675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID9833923

3-Oxetanamine

C3H7NO

结构：CC(=O)CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID178467638

未命名化合物

PRODUCTS

生成物

结构：CC(CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1)NC1COC1

HCID77148355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ce4f220430b4cf380a9c5ae498ca7e1
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

[BH4-:37].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][OH:47].[Cl-:39].[NH4+:40].[Na+:38].[O:32]1[CH2:33][CH:34]([NH2:36])[CH2:35]1.[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH2:28][C:29]([CH3:30])=[O:31])[N:12]([c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[N:9]2[CH2:10][CH:11]([CH2:28][CH:29]([CH3:30])[NH:36][CH:34]3[CH2:33][O:32][CH2:35]3)[N:12]([c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:3][cH:4][cH:5]1