HRID2332328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID253

5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid

C10H16N2O3S

结构：O=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1

HCID689

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]pyrimidine-2,4(1H,3H)-dione

C9H15N2O14P3

HCID702

Ethanol

C2H6O

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

结构：O=Cc1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21

HCID14121113

Coronene-1-carbaldehyde

C25H12O

PRODUCTS

生成物

HCID689

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]pyrimidine-2,4(1H,3H)-dione

C9H15N2O14P3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24bc3a8ebe6e44b3a4092f0ecbb6ce05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:71][CH2:72][OH:73].[CH3:76][OH:77].[CH:29]12[NH:30][C:31](=[O:32])[NH:33][CH:34]1[CH:35]([CH2:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[S:43][CH2:44]2.[OH:74][OH:75].[P:1]([OH:2])(=[O:3])([O:4][P:5](=[O:6])([OH:7])[O:8][P:9](=[O:10])([OH:11])[OH:12])[O:13][CH2:14][CH:15]1[CH:16]([OH:28])[CH2:17][CH:18]([n:20]2[c:21](=[O:22])[nH:23][c:24](=[O:25])[cH:26][cH:27]2)[O:19]1.[c:45]1([CH:46]=[O:47])[c:48]2[c:49]3[c:50]4[c:51]([cH:52][cH:53][c:54]5[c:55]4[c:56]4[c:57]([cH:58][cH:59][c:60]6[c:61]4[c:62]3[c:63]([cH:64][cH:65]2)[cH:66][cH:67]6)[cH:68][cH:69]5)[cH:70]1>>[P:1](=[O:2])([OH:3])([O:4][P:5](=[O:6])([OH:7])[O:8][P:9](=[O:10])([OH:11])[OH:12])[O:13][CH2:14][CH:15]1[CH:16]([OH:28])[CH2:17][CH:18]([n:20]2[c:21](=[O:22])[nH:23][c:24](=[O:25])[cH:26][cH:27]2)[O:19]1