HRID1565005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5429

Theobromine

C7H8N4O2

HCID75907

8-Bromooct-1-ene

C8H15Br

HCID166653

Hydride

H-

结构：Cn1cnc2c1c(=O)n(CCCCCCC(O)CO)c(=O)n2C

HCID9797334

1-(7,8-Dihydroxyoctyl)-3,7-dimethylxanthine

C15H24N4O4

PRODUCTS

生成物

HCID15230634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96bfeeb24de44f3fba90b64b4749e25d
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

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