Hydrochloric Acid → Hydrochloric Acid

HRID 139267Notes

Reaction equation

HRID 139267 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][c:11]([CH2:15][N:16]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[n:25][cH:26][cH:27][cH:28][n:29]3)[cH:22][cH:23]2)[S:30](=[O:31])(=[O:32])[c:33]2[c:34]([CH3:39])[n:35][o:36][c:37]2[CH3:38])[cH:12][cH:13][cH:14]1)=[O:40].[ClH:48].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[ClH:48].[O:5]=[C:6]([CH2:7][O:8][c:9]1[cH:10][c:11]([CH2:15][N:16]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[n:25][cH:26][cH:27][cH:28][n:29]3)[cH:22][cH:23]2)[S:30](=[O:31])(=[O:32])[c:33]2[c:34]([CH3:39])[n:35][o:36][c:37]2[CH3:38])[cH:12][cH:13][cH:14]1)[OH:40]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6422Trifluoroacetic acidHCID 312751,4-DioxaneHCID 53857383(3-{[(3,5-Dimethyl-isoxazole-4-sulfonyl)-(4-pyrimidin-2-yl-benzyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 183761982-[3-[[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid

Sources & evidence

ORD record
ord-575ae123f78d4171a50fcc861fb0db41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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