Dichloromethane → [7-(1-ethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine

HRID 104319Notes

Reaction equation

HRID 104319 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[n:22][cH:23][c:24]4[c:25]([n:26]3)[n:27]([CH:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[cH:28][cH:29]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:42][CH2:43][Cl:44].[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[n:22][cH:23][c:24]4[c:25]([n:26]3)[n:27]([CH:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[cH:28][cH:29]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 690753604-{4-[7-(1-ethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 58016034[7-(1-ethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine

Sources & evidence

ORD record
ord-ef5db3a3588d458f8e3aa0a14debcc6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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