Hydrochloric Acid → tert-butyl N-[2-(4-chlorophenyl)-3-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]carbamate

HRID 1212575Notes

Reaction equation

HRID 1212575 reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[NH:50][CH2:51][CH:52]([C:53](=[O:54])[OH:55])[c:56]1[cH:57][cH:58][c:59]([Cl:62])[cH:60][cH:61]1.[C:72](=[O:73])([O-:74])[O-:75].[CH3:27][CH:28]1[CH2:29][CH2:30][c:31]2[n:32][cH:33][n:34][c:35]([N:37]3[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]3)[c:36]21.[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:78][CH2:79][Cl:80].[ClH:25].[ClH:26].[Na+:76].[Na+:77].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:27][CH:28]1[CH2:29][CH2:30][c:31]2[n:32][cH:33][n:34][c:35]([N:37]3[CH2:38][CH2:39][N:40]([C:53]([CH:52]([CH2:51][NH:50][C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:49])[c:56]4[cH:57][cH:58][c:59]([Cl:62])[cH:60][cH:61]4)=[O:54])[CH2:41][CH2:42]3)[c:36]21

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 446078373-(((Tert-butoxy)carbonyl)amino)-2-(4-chlorophenyl)propanoic acidHCID 67339145HCID 67339145, compound

Product 1

HCID 91035276tert-butyl N-[2-(4-chlorophenyl)-3-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]carbamate

Sources & evidence

ORD record
ord-09ac6b9f19ea4aa2bcb70c656ec542fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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