Hydrochloric Acid → Tert-butyl 4-[4-(3-methyl-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}isoxazol-4-yl)phenyl]piperazine-1-carboxylate

HRID 2329755Notes

Reaction equation

HRID 2329755 reaction equation
[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[Cl:27][C:28](=[O:29])[O:30][CH2:31][C:32]([Cl:33])([Cl:34])[Cl:35].[Cl:51][CH2:52][Cl:53].[ClH:41].[NH2:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[cH:12][cH:13]2)[c:4]([CH3:7])[n:5][o:6]1>>[NH:1]([c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[cH:12][cH:13]2)[c:4]([CH3:7])[n:5][o:6]1)[C:28](=[O:29])[O:30][CH2:31][C:32]([Cl:33])([Cl:34])[Cl:35]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 870632,2,2-Trichloroethyl chloroformateHCID 22236112Tert-butyl 4-[4-(5-amino-3-methylisoxazol-4-yl)phenyl]piperazine-1-carboxylate

Product 1

HCID 22235871Tert-butyl 4-[4-(3-methyl-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}isoxazol-4-yl)phenyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-598df584d934482aaee9fd1bab2a87dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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