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

HRID 683575Notes

Reaction equation

HRID 683575 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][OH:12])[NH:13][C:14](=[O:15])[C:16]2([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:17][CH2:18][N:19]([c:22]3[c:23]4[c:24]([n:25][cH:26][n:27]3)[nH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[cH:7][cH:8]1.[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][OH:12])[NH:13][C:14](=[O:15])[C:16]2([NH2:31])[CH2:17][CH2:18][N:19]([c:22]3[c:23]4[c:24]([n:25][cH:26][n:27]3)[nH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 66673879tert-butyl N-[4-[[1-(4-cyanophenyl)-3-hydroxypropyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Product 1

HCID 666737564-amino-N-[1-(4-cyanophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Sources & evidence

ORD record
ord-32324479cba4496aa2d0879c8c935f8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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