Hydrochloric Acid → 5-[4-(cyclopropylsulfonyl)phenyl]-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 184996Notes

Reaction equation

HRID 184996 reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:17](=[O:18])[c:19]3[s:20][c:21]([CH2:24][O:25][CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30][O:31]4)[cH:22][n:23]3)=[O:32])[CH2:33][CH:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[ClH:40].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:17](=[O:18])[c:19]3[s:20][c:21]([CH2:24][OH:25])[cH:22][n:23]3)=[O:32])[CH2:33][CH:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 59331382HCID 59331382, compound

Product 1

HCID 593312225-[4-(cyclopropylsulfonyl)phenyl]-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-97cb710d9f5e4bcaa532d3344db61a67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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