Hydrochloric Acid → Hydrochloric Acid

HRID 807053Notes

Reaction equation

HRID 807053 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[C:9](=[O:47])[c:10]2[c:11]([n:14]([CH2:42][C:43]([F:44])([F:45])[F:46])[c:15](-[c:17]3[n:18][c:19]([NH:23][c:24]4[c:25]([O:37][C:38]([F:39])([F:40])[F:41])[cH:26][cH:27][c:28]([N:30]5[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]5)[cH:29]4)[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[ClH:48].[NH:8]1[C:9](=[O:47])[c:10]2[c:11]([n:14]([CH2:42][C:43]([F:44])([F:45])[F:46])[c:15](-[c:17]3[n:18][c:19]([NH:23][c:24]4[c:25]([O:37][C:38]([F:39])([F:40])[F:41])[cH:26][cH:27][c:28]([N:30]5[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]5)[cH:29]4)[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 866651452-{2-[5-(4-Methyl-piperazin-1-yl)-2-trifluoromethoxy-phenylamino]-pyrimidin-4-yl}-4-oxo-1-(2,2,2-trifluoro-ethyl)-1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 573986392-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

Sources & evidence

ORD record
ord-57c281f7437048268a17a4a566542b13
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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