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

HRID 677719Notes

Reaction equation

HRID 677719 reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[NH:50][C:51]([CH2:52][CH:53]([C:54](=[O:55])[OH:56])[c:57]1[cH:58][cH:59][c:60]([Cl:63])[cH:61][cH:62]1)([CH3:64])[CH3:65].[C:78](=[O:79])([O-:80])[O-:81].[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:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[Cl:75][CH2:76][Cl:77].[ClH:25].[ClH:26].[Na+:82].[Na+:83].[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:54]([CH:53]([CH2:52][C:51]([NH:50][C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:49])([CH3:64])[CH3:65])[c:57]4[cH:58][cH:59][c:60]([Cl:63])[cH:61][cH:62]4)=[O:55])[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 666178284-(Tert-butoxycarbonylamino)-2-(4-chlorophenyl)-4-methylpentanoic acidHCID 67339145HCID 67339145, compound

Product 1

HCID 67341308tert-butyl N-[4-(4-chlorophenyl)-2-methyl-5-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-5-oxopentan-2-yl]carbamate

Sources & evidence

ORD record
ord-6e1e915a560148cab5e1db72973631c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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