Dichloromethane → Trifluoroacetic acid

HRID 120200Notes

Reaction equation

HRID 120200 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:39])[c:7]2[c:8]([n:9][c:10]([NH:13][c:14]3[n:15][cH:16][c:17]([N:20]4[CH2:21][CH2:22][N:23]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:24][CH2:25]4)[cH:18][cH:19]3)[n:11][cH:12]2)[n:33]1[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[Cl:47][CH2:48][Cl:49].[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:39])[c:7]2[c:8]([n:9][c:10]([NH:13][c:14]3[n:15][cH:16][c:17]([N:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[cH:18][cH:19]3)[n:11][cH:12]2)[n:33]1[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[F:40][C:41]([C:42](=[O:43])[OH:44])([F:45])[F:46]

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 69079901HCID 69079901, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 58015873Methyl 7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate

Sources & evidence

ORD record
ord-707da1f7446643a5b85e5bcf89e14d69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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