Dichloromethane → HCID 178505088, compound

HRID 1548675Notes

Reaction equation

HRID 1548675 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][CH:13]1[CH2:14][N:15]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:16][CH2:17][N:18]1[c:19]1[n:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][n:24]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:68][CH2:69][Cl:70].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48].[N+:56](=[O:57])([O-:58])[c:59]1[cH:60][cH:61][c:62]([S:64](=[O:65])(=[O:66])[Cl:67])[s:63]1>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][CH:13]1[CH2:14][N:15]([S:64]([c:62]2[cH:61][cH:60][c:59]([N+:56](=[O:57])[O-:58])[s:63]2)(=[O:65])=[O:66])[CH2:16][CH2:17][N:18]1[c:19]1[n:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][n:24]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 217873475-Nitrothiophene-2-sulfonyl chlorideHCID 123343268tert-butyl 4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]-3-[(N-methylsulfonylanilino)methyl]piperazine-1-carboxylate

Product 1

HCID 178505088HCID 178505088, compound

Sources & evidence

ORD record
ord-0c7ea70f452844f390e84def496de071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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