Acetic Acid → HCID 67007677, compound

HRID 202214Notes

Reaction equation

HRID 202214 reaction equation
[CH3:33][S:34](=[O:35])(=[O:36])[NH2:37].[CH3:38][C:39](=[O:40])[OH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][c:11]2[n:12][c:13]([NH:26][c:27]3[n:28][cH:29][cH:30][n:31][cH:32]3)[cH:14][c:15]([N:17]3[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[OH:25])[CH2:21][CH2:22]3)[n:16]2)[cH:6][cH:7]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][c:11]2[n:12][c:13]([NH:26][c:27]3[n:28][cH:29][cH:30][n:31][cH:32]3)[cH:14][c:15]([N:17]3[CH2:18][CH2:19][CH:20]([C:23](=[O:24])[NH:37][S:34]([CH3:33])(=[O:35])=[O:36])[CH2:21][CH2:22]3)[n:16]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 72879MethanesulfonamideHCID 67006954HCID 67006954, compound

Product 1

HCID 67007677HCID 67007677, compound

Sources & evidence

ORD record
ord-29ec7233b4f84862be9377d88fae784d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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