HRID94565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOP(=O)(OCC)C(F)=CC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C2OC(C)(C)OC12

HCID72247288

未命名化合物

结构：CCOP(=O)(C=CC1OC(n2nnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1O)OCC

HCID74948506

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(F)=CC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1O

HCID72247317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfedc1d58365412c8c058b81b0120c2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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