Isopropanol → HCID 178523035, compound

HRID 302981Notes

Reaction equation

HRID 302981 reaction equation
[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:35][c:36]1[s:37][c:38]2[c:39]([c:40](=[O:44])[nH:41][n:42][cH:43]2)[n:45]1.[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:10](=[O:11])[CH:12]2[N:13]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[CH2:14][CH2:15][NH:16][CH2:17]2)[cH:31][cH:32]1)([F:33])[F:34]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:10](=[O:11])[CH:12]2[N:13]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[CH2:14][CH2:15][N:16]([c:36]3[s:37][c:38]4[c:39]([c:40](=[O:44])[nH:41][n:42][cH:43]4)[n:45]3)[CH2:17]2)[cH:31][cH:32]1)([F:33])[F:34]

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 597037792-chloro-5H-thiazolo[4,5-d]pyridazin-4-oneHCID 72362734N-[[4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide

Product 1

HCID 178523035HCID 178523035, compound

Sources & evidence

ORD record
ord-295b9b30cb454ba48e82d1540757f1f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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