Methanesulfonic Acid → HCID 59548172, compound

HRID 2134963Notes

Reaction equation

HRID 2134963 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[cH:17][c:18]([CH2:32][N:33]4[CH2:34][CH2:35][N:36]([C:39](=[O:40])[N:41]([CH3:42])[CH3:43])[CH2:37][CH2:38]4)[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:30][CH3:31])[c:27]([F:29])[cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]2)[cH:53][cH:54]1.[CH3:62][S:63](=[O:64])(=[O:65])[OH:66].[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61]>>[NH2:8][c:9]1[n:10][c:11](-[c:16]2[cH:17][c:18]([CH2:32][N:33]3[CH2:34][CH2:35][N:36]([C:39](=[O:40])[N:41]([CH3:42])[CH3:43])[CH2:37][CH2:38]3)[cH:19][n:20][c:21]2[NH:22][c:23]2[cH:24][n:25][c:26]([O:30][CH3:31])[c:27]([F:29])[cH:28]2)[n:12][c:13]([CH3:15])[n:14]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic AcidHCID 6422Trifluoroacetic acidHCID 66611087HCID 66611087, compound

Product 1

HCID 59548172HCID 59548172, compound

Sources & evidence

ORD record
ord-83ca310e375d4b84802d290d8dcc0391
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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