Hydrochloric Acid → tert-butyl N-[2-(4-chlorophenyl)-3-[4-(7,7-difluoro-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylcarbamate

HRID 296715Notes

Reaction equation

HRID 296715 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]([CH2:29][CH:30]([C:31](=[O:32])[OH:33])[c:34]1[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]1)[CH:41]([CH3:42])[CH3:43].[C:77](=[O:78])([O-:79])[O-:80].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:83][CH2:84][Cl:85].[ClH:1].[ClH:2].[F:3][C:4]1([F:20])[CH2:5][CH:6]([CH3:19])[c:7]2[c:8]1[n:9][cH:10][n:11][c:12]2[N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[Na+:81].[Na+:82].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[F:3][C:4]1([F:20])[CH2:5][CH:6]([CH3:19])[c:7]2[c:8]1[n:9][cH:10][n:11][c:12]2[N:13]1[CH2:14][CH2:15][N:16]([C:31]([CH:30]([CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH:41]([CH3:42])[CH3:43])[c:34]2[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]2)=[O:32])[CH2:17][CH2:18]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 251786973-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acidHCID 668462137,7-Difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine

Product 1

HCID 77269923tert-butyl N-[2-(4-chlorophenyl)-3-[4-(7,7-difluoro-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylcarbamate

Sources & evidence

ORD record
ord-0674cbc9cafc4318a16e55d95725bf01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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