Hydrochloric Acid → Hydrochloric Acid

HRID 88454Notes

Reaction equation

HRID 88454 reaction equation
[CH3:1][c:2]1[c:3]([N:27]2[CH2:28][CH2:29][N:30]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:31][CH2:32]2)[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:19][o:20]2)[cH:6][c:7]1[NH:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[CH3:40][OH:41].[ClH:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[CH3:1][c:2]1[c:3]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:19][o:20]2)[cH:6][c:7]1[NH:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[ClH:42]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 69242382Tert-butyl 4-[2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazine-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 692454832-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline

Sources & evidence

ORD record
ord-ca3f3d1f6d2d434586297245e29f5cf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…