HRID284475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID996

Phenol

C6H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：Cn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(S(C)(=O)=O)n2)n1C1CCN(C(=O)OC(C)(C)C)CC1

HCID60061131

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n1C1CCN(C(=O)OC(C)(C)C)CC1

HCID60061136

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e275600484474a88873735ed7a0617f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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