Hydrochloric Acid → Hydrochloric Acid

HRID 144576Notes

Reaction equation

HRID 144576 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][S:6][c:7]1[cH:8][c:9]([O:29][c:30]2[c:31]([CH3:36])[n:32][cH:33][cH:34][cH:35]2)[c:10]([NH:13][c:14]2[n:15][c:16]([CH:19]3[O:20][C:21]4([O:22][CH2:23]3)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[n:17][s:18]2)[n:11][cH:12]1.[CH3:44][CH2:45][OH:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:37].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][S:6][c:7]1[cH:8][c:9]([O:29][c:30]2[c:31]([CH3:36])[n:32][cH:33][cH:34][cH:35]2)[c:10]([NH:13][c:14]2[n:15][c:16]([CH:19]([OH:20])[CH2:23][OH:22])[n:17][s:18]2)[n:11][cH:12]1.[ClH:37]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 684818893-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[5-(3-methoxypropylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-1,2,4-thiadiazol-5-amine

Product 2

HCID 313Hydrochloric AcidHCID 708194081-[5-[[5-(3-Methoxypropylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol

Sources & evidence

ORD record
ord-b5a4481eb33c4eafa858f874887c3bfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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