Hydrochloric Acid → 4-amino-N-(1-(4-chlorophenyl)-3-(methylsulfonamido)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

HRID 169257Notes

Reaction equation

HRID 169257 reaction equation
[CH2:2]1[O:3][CH2:4][CH2:5][O:6][CH2:7]1.[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][NH:18][S:19](=[O:20])(=[O:21])[CH3:22])[NH:23][C:24](=[O:25])[C:26]2([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:27][CH2:28][N:29]([c:32]3[c:33]4[c:34]([n:35][cH:36][n:37]3)[nH:38][cH:39][cH:40]4)[CH2:30][CH2:31]2)[cH:13][cH:14]1.[ClH:1].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][NH:18][S:19](=[O:20])(=[O:21])[CH3:22])[NH:23][C:24](=[O:25])[C:26]2([NH2:41])[CH2:27][CH2:28][N:29]([c:32]3[c:33]4[c:34]([n:35][cH:36][n:37]3)[nH:38][cH:39][cH:40]4)[CH2:30][CH2:31]2)[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6422Trifluoroacetic acidHCID 312751,4-DioxaneHCID 57750389tert-butyl 4-(1-(4-chlorophenyl)-3-(methylsulfonamido)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Product 1

HCID 577503124-amino-N-(1-(4-chlorophenyl)-3-(methylsulfonamido)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Sources & evidence

ORD record
ord-dfb6b5b044e04652bcd5d63fcf57f38f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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