Hydrochloric Acid → Hydrochloric Acid

HRID 1201137Notes

Reaction equation

HRID 1201137 reaction equation
[CH3:32][CH2:33][O:34][CH2:35][CH3:36].[CH3:37][OH:38].[ClH:31].[c:1]1([CH:7]2[CH2:8][C:9]([c:12]3[n:13][c:14]([N:17]4[CH2:18][CH2:19][N:20]([CH2:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:21][CH2:22]4)[s:15][cH:16]3)=[N:10][O:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:31].[c:1]1([CH:7]2[CH2:8][C:9]([c:12]3[n:13][c:14]([N:17]4[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]4)[s:15][cH:16]3)=[N:10][O:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3283Diethyl EtherHCID 672355881,1-Dimethylethyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-1-piperazineacetate

Product 2

HCID 313Hydrochloric AcidHCID 672350625-Phenyl-3-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4,5-dihydro-1,2-oxazole

Sources & evidence

ORD record
ord-ec099ff0eaec4d2db3f7f96fa0cdacea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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