Hydrochloric Acid → Hydrochloric Acid

HRID 312240Notes

Reaction equation

HRID 312240 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[cH:20][cH:21][n:22][c:23]([CH2:28][CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[c:24]4[cH:25][cH:26][cH:27]3)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[ClH:37]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[cH:20][cH:21][n:22][c:23]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[c:24]4[cH:25][cH:26][cH:27]3)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[ClH:37]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 668771411,1-Dimethylethyl 3-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]propanoate

Product 2

HCID 313Hydrochloric AcidHCID 444766743-[5-[5-(3-Cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid

Sources & evidence

ORD record
ord-145fff10eddf47df86ffff45e931c7c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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