Hydrochloric Acid → Hydrochloric Acid

HRID 1134885Notes

Reaction equation

HRID 1134885 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[C:9](=[O:43])[c:10]2[c:11]([n:14]([CH3:42])[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:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[ClH:44].[NH:8]1[C:9](=[O:43])[c:10]2[c:11]([n:14]([CH3:42])[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 57391651HCID 57391651, compound

Product 2

HCID 313Hydrochloric AcidHCID 252105791,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one

Sources & evidence

ORD record
ord-956ed656436748b080f5e24056dc3b99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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