Hydrochloric Acid → Hydrochloric Acid

HRID 102273Notes

Reaction equation

HRID 102273 reaction equation
[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][N:20]([CH2:21][CH2:22][CH3:23])[c:24]3[s:25][c:26]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH3:40])[c:27](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[n:28]3)[cH:41][cH:42]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:52][OH:53].[ClH:51].[Li+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:44].[OH2:43].[OH2:54]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][N:20]([CH2:21][CH2:22][CH3:23])[c:24]3[s:25][c:26]([CH2:35][CH2:36][C:37](=[O:38])[OH:39])[c:27](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[n:28]3)[cH:41][cH:42]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[ClH:51]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69430779methyl 3-[2-[N-[4-(5-methyl-2-phenyl-4-oxazolylmethoxy)benzyl]-N-(1-propyl)amino]-4-phenyl-5-thiazolyl]propionate

Product 2

HCID 313Hydrochloric AcidHCID 694258373-[2-[[4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl-propylamino]-4-phenyl-1,3-thiazol-5-yl]propanoic acid

Sources & evidence

ORD record
ord-ff4bc4b6bf004a259c7ea37e52dd216e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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