Hydrochloric Acid → Hydrochloric Acid

HRID 945707Notes

Reaction equation

HRID 945707 reaction equation
[Br:25][c:26]1[cH:27][c:28]2[c:29]([cH:30][c:31]([NH2:33])[s:32]2)[cH:34][cH:35]1.[CH3:46][C:47]#[N:48].[ClH:1].[ClH:40].[N:2]12[CH2:3][CH:4]([CH2:10][C:11]([O:13][c:12]3[c:14]([F:15])[c:16]([F:17])[c:18]([F:19])[c:20]([F:21])[c:22]3[F:23])=[O:24])[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[O-:36][C:37](=[O:38])[O-:39].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[ClH:1].[N:2]12[CH2:3][CH:4]([CH2:10][C:11](=[O:13])[NH:33][c:31]3[cH:30][c:29]4[c:28]([cH:27][c:26]([Br:25])[cH:35][cH:34]4)[s:32]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 179798236-Bromobenzo[b]thiophen-2-amineHCID 57725353(2,3,4,5,6-Pentafluorophenyl) 2-(1-azabicyclo[2.2.2]octan-3-yl)acetate

Product 2

HCID 313Hydrochloric AcidHCID 179798262-(1-azabicyclo[2.2.2]octan-3-yl)-N-(6-bromo-1-benzothiophen-2-yl)acetamide

Sources & evidence

ORD record
ord-7a423c570bf2411aa7fc736c9e5586c3
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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