Hydrochloric Acid → HCID 23111489, compound

HRID 1116562Notes

Reaction equation

HRID 1116562 reaction equation
[C:17]([Cl:18])(=[O:19])[CH2:20][CH:21]([CH3:22])[CH3:23].[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1.[Cl:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][S:46](=[O:47])(=[O:48])[Cl:49])[cH:50][cH:51]1.[ClH:1].[ClH:2].[F:24][c:25]1[c:26]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1>>[F:24][c:25]1[c:26]([N:34]2[CH2:35][CH2:36][N:37]([S:46]([CH2:45][c:44]3[cH:43][cH:42][c:41]([Cl:40])[cH:51][cH:50]3)(=[O:47])=[O:48])[CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 66054Isovaleryl chlorideHCID 227304(4-Chlorophenyl)methanesulfonyl chlorideHCID 2697221-(4-Methoxyphenyl)piperazineHCID 231114921-(2,5-Difluoro-4-methoxyphenyl)piperazine

Product 1

HCID 23111489HCID 23111489, compound

Sources & evidence

ORD record
ord-47e2fc2f0ec94cfaa0cfcc9f1309fdae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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