Hydrochloric Acid → tert-butyl N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate

HRID 184502Notes

Reaction equation

HRID 184502 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[C:20](=[O:21])[OH:22].[CH2:81]([Cl:82])[Cl:83].[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1.[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[CH:50]1([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[CH:77]([Cl:78])([Cl:79])[Cl:80].[ClH:23].[ClH:24].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[C:20](=[O:22])[N:36]1[CH2:35][CH2:34][N:33]([c:30]2[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]2)[CH2:38][CH2:37]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 1180712-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acidHCID 2697221-(4-Methoxyphenyl)piperazine

Product 1

HCID 19796302tert-butyl N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate

Sources & evidence

ORD record
ord-8eaebfd10b304c819c8b67def449dd96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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