Methanol → 1-(2, 4-Dimethoxycyclohexylcarbamoyl)-5-fluorouracil

HRID 1128236Notes

Reaction equation

HRID 1128236 reaction equation
[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

Participants

11

Reactant 10

HCID 887MethanolHCID 1049PyridineHCID 33855-FluorouracilHCID 6371PhosgeneHCID 176522,4-DimethoxyanilineHCID 105034IsocyanateHCID 451221212,4-Dimethoxycyclohexan-1-amineHCID 540156612, 4-DimethoxycyclohexylisocyanateHCID 178418361HCID 178418361, compoundHCID 178527103HCID 178527103, compound

Product 1

HCID 106390511-(2, 4-Dimethoxycyclohexylcarbamoyl)-5-fluorouracil

Sources & evidence

ORD record
ord-657f766f0e3b4f198716565edd407610
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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