Hydrochloric Acid → Hydrochloric Acid

HRID 2161990Notes

Reaction equation

HRID 2161990 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].[CH3:19][c:20]1[cH:21][c:22]2[c:23]([o:24][cH:25][c:26]2[CH:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:33][cH:34]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[ClH:18].[I-:42].[K+:39].[K+:40].[K+:41].[OH2:43]>>[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:26]4[c:22]5[cH:21][c:20]([CH3:19])[cH:34][cH:33][c:23]5[o:24][cH:25]4)[CH2:32][CH2:31]3)[s:12]2)[CH2:8][CH2:9]1.[ClH:15]

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 214718264-(5-Methyl-1-benzofuran-3-yl)piperidineHCID 214720436-Acetyl-2-(2-chloroethyl)-3-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

Product 2

HCID 313Hydrochloric AcidHCID 194388171-[3-ethyl-2-[2-[4-(5-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

Sources & evidence

ORD record
ord-b03ade260fec48279bbf158c59868b55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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