Hydrochloric Acid → Hydrochloric Acid

HRID 99551Notes

Reaction equation

HRID 99551 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][CH:5]1[C:6](=[CH:24][c:25]2[n:26][n:27][n:28]([CH2:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[n:29]2)[CH2:7][N:8]([CH:11]([C:12](=[O:13])[CH:14]2[CH2:15][CH2:16]2)[c:17]2[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]2)[CH2:9][CH2:10]1.[CH3:39][CH2:40][OH:41].[ClH:38]>>[ClH:38].[SH:4][CH:5]1[C:6](=[CH:24][c:25]2[n:26][n:27][n:28]([CH2:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[n:29]2)[CH2:7][N:8]([CH:11]([C:12](=[O:13])[CH:14]2[CH2:15][CH2:16]2)[c:17]2[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]2)[CH2:9][CH2:10]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 702EthanolHCID 74020267Ethyl 4-[5-[[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]tetrazol-2-yl]butanoate

Product 2

HCID 313Hydrochloric AcidHCID 74020271HCID 74020271, compound

Sources & evidence

ORD record
ord-355917c71bca4f5e85798cbd0e88c2ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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