Acetonitrile → Methanesulfonic Acid

HRID 1151990Notes

Reaction equation

HRID 1151990 reaction equation
[CH3:46][S:47]([OH:48])(=[O:49])=[O:50].[CH3:51][C:52]#[N:53].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:45])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:34][CH:35]2[CH2:36][C:37]([CH3:43])([CH3:44])[NH:38][C:39]([CH3:41])([CH3:42])[CH2:40]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([NH:26][C:27](=[O:28])[c:29]3[cH:30][s:31][cH:32][cH:33]3)[cH:22][cH:23][c:24]2[CH3:25])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[CH3:46][S:47](=[O:48])(=[O:49])[OH:50].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:45])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:34][CH:35]2[CH2:36][C:37]([CH3:43])([CH3:44])[NH:38][C:39]([CH3:41])([CH3:42])[CH2:40]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([NH:26][C:27](=[O:28])[c:29]3[cH:30][s:31][cH:32][cH:33]3)[cH:22][cH:23][c:24]2[CH3:25])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 11947981N-(3-{8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl)-3-thiophenecarboxamide

Product 2

HCID 6395Methanesulfonic AcidHCID 11947981N-(3-{8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl)-3-thiophenecarboxamide

Sources & evidence

ORD record
ord-4d3db4be044a42d9a4e0cbfe1bbe86ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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