Ethanol → tert-butyl 4-(3-amino-1-(4-chlorophenyl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HRID 2332969Notes

Reaction equation

HRID 2332969 reaction equation
[CH3:51][CH2:52][OH:53].[Cl:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][N:14]2[C:15](=[O:16])[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[C:23]2=[O:24])[NH:25][C:26](=[O:27])[C:28]2([NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[CH2:29][CH2:30][N:31]([c:34]3[c:35]4[c:36]([n:37][cH:38][n:39]3)[nH:40][cH:41][cH:42]4)[CH2:32][CH2:33]2)[cH:9][cH:10]1.[NH2:2][NH2:3].[OH2:1]>>[Cl:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][NH2:14])[NH:25][C:26](=[O:27])[C:28]2([NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[CH2:29][CH2:30][N:31]([c:34]3[c:35]4[c:36]([n:37][cH:38][n:39]3)[nH:40][cH:41][cH:42]4)[CH2:32][CH2:33]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 9321HydrazineHCID 57750333tert-butyl 4-(1-(4-chlorophenyl)-3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Product 1

HCID 57750385tert-butyl 4-(3-amino-1-(4-chlorophenyl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Sources & evidence

ORD record
ord-0e9279eda8654a168ab44e9c54b6ed50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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