Dichloromethane → 4-Chloro-7-(2-fluoro-4-(methylsulfonyl)phenyl)-6,7-dihydro-5H-pyrrolo[2,3-D]pyrimidine

HRID 687620Notes

Reaction equation

HRID 687620 reaction equation
[CH3:1][S:2]([O:3][CH2:4][CH2:7][c:8]1[c:9]([Cl:33])[n:10][cH:11][n:12][c:13]1[N:14]([c:15]1[c:16]([F:25])[cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]1)[C:26]([O:5][C:6]([CH3:27])([CH3:28])[CH3:29])=[O:30])(=[O:31])=[O:32].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:48][CH2:49][Cl:50].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40]>>[CH2:7]1[c:8]2[c:9]([Cl:33])[n:10][cH:11][n:12][c:13]2[N:14]([c:15]2[c:16]([F:25])[cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[CH2:26]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 86637380N-[6-chloro-5-[2-[(methylsulfonyl)oxy]ethyl]-4-pyrimidinyl]-N-[2-fluoro-4-(methylsulfonyl)phenyl]Carbamic acid 1,1-dimethylethyl ester

Product 1

HCID 426368224-Chloro-7-(2-fluoro-4-(methylsulfonyl)phenyl)-6,7-dihydro-5H-pyrrolo[2,3-D]pyrimidine

Sources & evidence

ORD record
ord-a8ac404c51f7426b9aeec980edf7f0e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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