HRID1562137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(C(C)=O)cn2)c1

HCID19689514

未命名化合物

PRODUCTS

生成物

HCID19689472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3dbe962700f440a864181ddf28c2da5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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