Potassium Cation → but-2-ynyl 4-methyl-4-[4-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

HRID 1555453Notes

Reaction equation

HRID 1555453 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:1][C:2]1([N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[C:15](=[O:23])[NH:16][CH:17]4[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]4)[CH2:12][CH2:13]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[Cl:30][C:31](=[O:32])[O:33][CH2:34][C:35]#[C:36][CH3:37].[Cl:39][CH2:40][Cl:41].[K+:28].[K+:29].[OH2:38]>>[CH3:1][C:2]1([N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[C:15](=[O:23])[NH:16][CH:17]4[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]4)[CH2:12][CH2:13]2)[CH2:3][CH2:4][N:5]([C:31](=[O:32])[O:33][CH2:34][C:35]#[C:36][CH3:37])[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 41316692-Butyn-1-yl chloroformateHCID 576198323-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one

Product 1

HCID 178451965but-2-ynyl 4-methyl-4-[4-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-bc68576471294ac883217ffd581f7df4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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