Hydrochloric Acid → Abemaciclib Metabolites M2

HRID 144538Notes

Reaction equation

HRID 144538 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][n:17][c:18]([NH:21][c:22]3[n:23][cH:24][c:25]([F:42])[c:26](-[c:28]4[cH:29][c:30]5[c:31]([n:32][c:33]([CH3:38])[n:34]5[CH:35]([CH3:36])[CH3:37])[c:39]([F:41])[cH:40]4)[n:27]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[ClH:43].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][n:17][c:18]([NH:21][c:22]3[n:23][cH:24][c:25]([F:42])[c:26](-[c:28]4[cH:29][c:30]5[c:31]([n:32][c:33]([CH3:38])[n:34]5[CH:35]([CH3:36])[CH3:37])[c:39]([F:41])[cH:40]4)[n:27]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 67427599HCID 67427599, compound

Product 1

HCID 59376686Abemaciclib Metabolites M2

Sources & evidence

ORD record
ord-fcd0d14d954c47efaf3cec1686c3748d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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