Hydrochloric Acid → HCID 58659037, compound

HRID 2332018Notes

Reaction equation

HRID 2332018 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][C:44]#[N:45].[ClH:21].[N:22]1([c:28]2[n:29][s:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:12])[N:25]2[CH2:24][CH2:23][N:22]([c:28]3[n:29][s:30][c:31]4[c:32]3[cH:33][cH:34][cH:35][cH:36]4)[CH2:27][CH2:26]2)[cH:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 211003065-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

Product 1

HCID 58659037HCID 58659037, compound

Sources & evidence

ORD record
ord-64aa7c315f724aeea67c8e64faf5f450
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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