Hydrochloric Acid → Tert-butyl 2-[(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)carbonyl]morpholine-4-carboxylate

HRID 2148600Notes

Reaction equation

HRID 2148600 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH:28]([C:32](=[O:33])[OH:34])[O:29][CH2:30][CH2:31]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:2][c:3]1[cH:4][c:5]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[Cl:9].[ClH:1].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[Cl:2][c:3]1[cH:4][c:5]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([C:32]([CH:28]3[CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30][O:29]3)=[O:33])[CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[Cl:9]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27559654-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 16775732N-(3,4-Dichlorophenyl)piperazine-1-carboxamide

Product 1

HCID 57656874Tert-butyl 2-[(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)carbonyl]morpholine-4-carboxylate

Sources & evidence

ORD record
ord-b0c6ca843a4c4b829814aba889b82135
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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