Isobutylamine → HCID 77148350, compound

HRID 104730Notes

Reaction equation

[CH2:34]([NH2:35])[CH:36]([CH3:37])[CH3:38].[CH3:1][S:2]([O:3][CH2:4][CH:5]1[CH2:6][N:7]([S:8]([c:9]2[s:10][cH:11][cH:12][cH:13]2)(=[O:14])=[O:15])[CH2:16][CH2:17][N:18]1[c:19]1[cH:20][cH:21][c:22]([C:23]([OH:24])([CH3:25])[C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]1)(=[O:32])=[O:33].[CH3:39][S:40]([Cl:41])(=[O:42])=[O:43].[F:44][C:45]([C:46]([CH3:47])([OH:48])[c:49]1[cH:50][cH:51][c:52]([N:55]2[CH:56]([CH2:69][NH:70][CH2:71][CH:72]([CH3:73])[CH3:74])[CH2:57][N:58]([S:61](=[O:62])(=[O:63])[c:64]3[s:65][cH:66][cH:67][cH:68]3)[CH2:59][CH2:60]2)[cH:53][cH:54]1)([F:75])[F:76]>>[CH3:39][S:40](=[O:42])(=[O:43])[N:70]([CH2:69][CH:56]1[N:55]([c:52]2[cH:51][cH:50][c:49]([C:46]([C:45]([F:44])([F:75])[F:76])([CH3:47])[OH:48])[cH:54][cH:53]2)[CH2:60][CH2:59][N:58]([S:61](=[O:62])(=[O:63])[c:64]2[s:65][cH:66][cH:67][cH:68]2)[CH2:57]1)[CH2:71][CH:72]([CH3:73])[CH3:74]

Participants

Reactant 4

HCID 6558Isobutylamine

HCID 31297Methanesulfonyl chloride

HCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

HCID 178448999HCID 178448999, compound

Product 1

HCID 77148350HCID 77148350, compound

Sources & evidence

ORD record: ord-abb8590a8a6b4b319adbcfcb4257cdbd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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