Hydrochloric Acid → methyl 2-(4-(4-(4-chloro-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)-3-fluorophenyl)cyclohexyl)acetate

HRID 304541Notes

Reaction equation

HRID 304541 reaction equation
[C:2]([Si:3]([CH3:4])([CH3:5])[O:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]1[c:14]([Cl:6])[n:15][cH:16][n:17][c:18]1[Cl:19])[c:21]1[c:22]([F:38])[cH:23][c:24]([CH:27]2[CH2:28][CH2:29][CH:30]([CH2:33][C:34](=[O:35])[O:36][CH3:37])[CH2:31][CH2:32]2)[cH:25][cH:26]1)([CH3:20])([CH3:39])[CH3:40].[CH3:47][OH:48].[ClH:1].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[O:7]1[CH2:8][CH2:9][N:10]([c:21]2[c:22]([F:38])[cH:23][c:24]([CH:27]3[CH2:28][CH2:29][CH:30]([CH2:33][C:34](=[O:35])[O:36][CH3:37])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[C:11](=[O:12])[c:13]2[c:14]1[n:15][cH:16][n:17][c:18]2[Cl:19]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 59302507methyl 2-(4-(4-(N-(2-(tert-butyldimethylsilyloxy) ethyl)-4,6-dichloropyrimidine-5-carboxamido)-3-fluorophenyl)cyclohexyl)acetate

Product 1

HCID 59302529methyl 2-(4-(4-(4-chloro-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)-3-fluorophenyl)cyclohexyl)acetate

Sources & evidence

ORD record
ord-49327ed8b98a41a6922032cfb0c02e96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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