HRID1215733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID12361759

Methyl 1H-pyrrole-3-carboxylate

C6H7NO2

结构：CC(C)(C)c1nc2cc(S(=O)(=O)Cl)ccc2n1CC1CCOCC1

HCID57937298

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccn(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)c1

HCID23660111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ada006f10e254d2f9c127004aeb4ce3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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