Hydrochloric Acid → HCID 74953269, compound

HRID 688757Notes

Reaction equation

HRID 688757 reaction equation
[CH3:44][C:45]#[N:46].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:10]1[C:11](=[N:19][OH:20])[CH2:12][CH2:13][N:14]([CH3:18])[S:15]2(=[O:16])=[O:17].[ClH:21].[F:22][c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:35][cH:36]1.[I-:43].[Na+:37].[Na+:42].[OH:38][C:39](=[O:40])[O-:41]>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:10]1[C:11](=[N:19][OH:20])[CH2:12][CH2:13][N:14]([CH3:18])[S:15]2(=[O:16])=[O:17])[N:32]1[CH2:31][CH2:30][CH:29]([C:27]([c:26]2[cH:25][cH:24][c:23]([F:22])[cH:36][cH:35]2)=[O:28])[CH2:34][CH2:33]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 30165Iodide IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 72612001HCID 72612001, compound

Product 1

HCID 74953269HCID 74953269, compound

Sources & evidence

ORD record
ord-0e8efb7e0958459ebb57108f4d7f1fcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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