HRID1128236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID3385

5-Fluorouracil

C4H3FN2O2

HCID6371

Phosgene

CCl2O

HCID17652

2,4-Dimethoxyaniline

C8H11NO2

HCID105034

Isocyanate

CNO-

HCID45122121

未命名化合物

PRODUCTS

生成物

结构：COC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)C(OC)C1

HCID10639051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-657f766f0e3b4f198716565edd407610
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:12][O:13][c:14]1[cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20][c:21]1[NH2:22].[CH3:1][O:2][CH:3]1[CH2:4][CH:5]([O:6][CH3:7])[CH2:8][CH2:9][CH:10]1[NH2:11].[CH3:29][O:30][CH:31]1[CH:32]([N:39]=[C:40]=[O:41])[CH2:33][CH2:34][CH:35]([O:37][CH3:38])[CH2:36]1.[CH3:56][OH:57].[Cl:25][C:26](=[O:27])[Cl:28].[F:45][c:46]1[c:47](=[O:53])[nH:48][c:49](=[O:52])[nH:50][cH:51]1.[H:23][H:24].[N-:42]=[C:43]=[O:44].[Ru:54]=[O:55].[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[CH3:29][O:30][CH:31]1[CH:32]([NH:39][C:40](=[O:41])[n:50]2[c:49](=[O:52])[nH:48][c:47](=[O:53])[c:46]([F:45])[cH:51]2)[CH2:33][CH2:34][CH:35]([O:37][CH3:38])[CH2:36]1