Hydrochloric Acid → 6-Acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

HRID 698854Notes

Reaction equation

HRID 698854 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:16][CH3:17])[c:11]([CH2:13][CH2:14][Cl:15])[s:12]2)[CH2:8][CH2:9]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[ClH:18].[F:19][c:20]1[cH:21][c:22]2[c:23]([c:24]([CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:25][s:26]2)[cH:33][cH:34]1.[I-:42].[K+:39].[K+:40].[K+:41].[OH2:55]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:16][CH3:17])[c:11]([CH2:13][CH2:14][N:30]3[CH2:29][CH2:28][CH:27]([c:24]4[c:23]5[c:22]([cH:21][c:20]([F:19])[cH:34][cH:33]5)[s:26][n:25]4)[CH2:32][CH2:31]3)[s:12]2)[CH2:8][CH2:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 185049766-Fluoro-3-(4-piperidinyl)-1,2-benzisothiazoleHCID 214720436-Acetyl-2-(2-chloroethyl)-3-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

Product 1

HCID 214720166-Acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

Sources & evidence

ORD record
ord-bd4f722a7ed5422f91f083e98786b956
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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