Hydrochloric Acid → 1-(4-Ethyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-4-(1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)butan-1-one

HRID 157243Notes

Reaction equation

HRID 157243 reaction equation
[C:70](=[O:71])([OH:72])[O-:73].[CH2:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH:6]([CH3:7])[CH3:8])[CH3:9].[CH2:34]([CH3:35])[CH:36]1[NH:37][CH2:38][CH2:39][c:40]2[c:41]1[cH:42][cH:43][s:44]2.[CH2:75]([Cl:76])[Cl:77].[CH3:22][N:23]([CH3:24])[CH2:25][CH2:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH3:32].[CH3:45][O:46][c:47]1[cH:48][c:49]([CH3:69])[c:50]([S:54](=[O:55])(=[O:56])[N:57]2[CH:58]([CH2:63][CH2:64][CH2:65][C:66](=[O:67])[OH:68])[CH2:59][CH2:60][CH2:61][CH2:62]2)[c:51]([CH3:53])[cH:52]1.[ClH:21].[ClH:33].[Na+:74].[OH2:10].[OH:11][n:12]1[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[n:19][n:20]1>>[CH2:34]([CH3:35])[CH:36]1[N:37]([C:66]([CH2:65][CH2:64][CH2:63][CH:58]2[N:57]([S:54]([c:50]3[c:49]([CH3:69])[cH:48][c:47]([O:46][CH3:45])[cH:52][c:51]3[CH3:53])(=[O:55])=[O:56])[CH2:62][CH2:61][CH2:60][CH2:59]2)=[O:67])[CH2:38][CH2:39][c:40]2[c:41]1[cH:42][cH:43][s:44]2

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 64852964-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridineHCID 574771724-(1-(4-Methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)butanoic Acid

Product 1

HCID 442524131-(4-Ethyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-4-(1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)butan-1-one

Sources & evidence

ORD record
ord-c98654c3d31f473c812942ba22b9d670
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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