HRID110366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：COC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)ccc1OCC1CCN(C(=O)OC(C)C)CC1

HCID24993714

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2CO)CC1

HCID66673583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d0b7c2813184f548494e8d1ba627c58
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-:1].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:37][OH:38].[CH3:3][CH:4]([CH3:5])[O:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][CH:12]([CH2:15][O:16][c:17]2[c:18]([C:33](=[O:34])[O:35][CH3:36])[n:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[CH2:13][CH2:14]1.[Na+:2]>>[CH3:3][CH:4]([CH3:5])[O:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][CH:12]([CH2:15][O:16][c:17]2[c:18]([CH2:33][OH:34])[n:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[CH2:13][CH2:14]1