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

HRID 98910Notes

Reaction equation

HRID 98910 reaction equation
[CH3:45][OH:46].[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][S:12]([NH2:13])(=[O:14])=[O:15])[NH:16][C:17](=[O:18])[C:19]2([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:20][CH2:21][N:22]([c:25]3[c:26]4[c:27]([n:28][cH:29][n:30]3)[nH:31][cH:32][cH:33]4)[CH2:23][CH2:24]2)[cH:7][cH:8]1.[Cl:42][CH2:43][Cl:44].[ClH:1]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][S:12]([NH2:13])(=[O:14])=[O:15])[NH:16][C:17](=[O:18])[C:19]2([NH2:34])[CH2:20][CH2:21][N:22]([c:25]3[c:26]4[c:27]([n:28][cH:29][n:30]3)[nH:31][cH:32][cH:33]4)[CH2:23][CH2:24]2)[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 57750304tert-butyl 4-(1-(4-chlorophenyl)-3-sulfamoylpropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Product 1

HCID 577503814-amino-N-(1-(4-chlorophenyl)-3-sulfamoylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Sources & evidence

ORD record
ord-361d3cd2d2f94da38e7744689f79837d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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