HRID666078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2772380

4-methoxy-6-methyl-2-(methylsulfonyl)pyrimidine

C7H10N2O3S

结构：CCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)C(O)C(=O)O)cc1

HCID10552657

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)C(Oc2nc(C)cc(OC)n2)C(=O)O)cc1

HCID10769887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa3e0bcd8b2a40e4b79736d652abce63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:43][O:44][c:45]1[n:46][c:47]([S:52]([CH3:53])(=[O:54])=[O:55])[n:48][c:49]([CH3:51])[cH:50]1.[H-:42].[Na+:41].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:56].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][CH3:14])[cH:11][cH:12]1)([c:15]1[cH:16][cH:17][c:18]([CH2:21][CH3:22])[cH:19][cH:20]1)[O:23][CH2:24][CH2:25][c:26]1[cH:27][c:28]([O:34][CH3:35])[c:29]([O:32][CH3:33])[cH:30][cH:31]1>>[O:1]([CH:2]([C:3](=[O:4])[OH:5])[C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][CH3:14])[cH:11][cH:12]1)([c:15]1[cH:16][cH:17][c:18]([CH2:21][CH3:22])[cH:19][cH:20]1)[O:23][CH2:24][CH2:25][c:26]1[cH:27][c:28]([O:34][CH3:35])[c:29]([O:32][CH3:33])[cH:30][cH:31]1)[c:47]1[n:46][c:45]([O:44][CH3:43])[cH:50][c:49]([CH3:51])[n:48]1