Water → 4-{[5-(7-Amino[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-phenyl-1H-imidazol-1-yl]methyl}cyclohexanone

HRID 665265Notes

Reaction equation

HRID 665265 reaction equation
[CH3:41][C:42]#[N:43].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([CH2:11][n:12]1[cH:13][n:14][c:15](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:16]1-[c:17]1[s:18][c:19]3[n:20][cH:21][n:22][c:23]([NH2:26])[c:24]3[n:25]1)[CH2:9][CH2:10]2.[OH2:33]>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([CH2:11][n:12]2[cH:13][n:14][c:15](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:16]2-[c:17]2[s:18][c:19]3[n:20][cH:21][n:22][c:23]([NH2:26])[c:24]3[n:25]2)[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 10095197HCID 10095197, compound

Product 1

HCID 100012704-{[5-(7-Amino[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-phenyl-1H-imidazol-1-yl]methyl}cyclohexanone

Sources & evidence

ORD record
ord-b93289ac4676457199eea55bfb533b39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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