Diethyl Ether → 4-amino-N-[1-(4-chlorophenyl)-3-(diethylamino)propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

HRID 86568Notes

Reaction equation

HRID 86568 reaction equation
[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[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:6][cH:7]1.[Cl:54][CH2:55][Cl:56].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[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:6][cH:7]1

Participants

5

Reactant 4

HCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66674204tert-butyl N-[4-[[1-(4-chlorophenyl)-3-(diethylamino)propyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Product 1

HCID 666743564-amino-N-[1-(4-chlorophenyl)-3-(diethylamino)propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Sources & evidence

ORD record
ord-7ba02e8475cd4f619707215d62625141
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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