HRID1123372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C1(O)CCCC1NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

HCID178499205

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(COc2ccc(S(=O)(=O)NC3CCCC3(O)C(=O)O)cc2)c2ccccc2n1

HCID178426773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d90d475380fa4cdc99cf01e99b3282e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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