Acetate → HCID 58229475, compound

HRID 286982Notes

Reaction equation

HRID 286982 reaction equation
[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH2:39]1[CH2:40][CH2:41][C:42]2=[N:47][CH2:46][CH2:45][CH2:44][N:43]2[CH2:48][CH2:49]1.[CH3:51][S:52]([CH3:53])=[O:54].[Cl:1][c:2]1[n:3][cH:4][c:5]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1.[ClH:50].[Cu+2:60].[OH2:55].[n:28]1[cH:29][cH:30][cH:31][c:32]2[c:33](=[O:38])[nH:34][cH:35][cH:36][c:37]12>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[n:34]2[c:33](=[O:38])[c:32]3[cH:31][cH:30][cH:29][n:28][c:37]3[cH:36][cH:35]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 27099Cupric cationHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 55203681,6-naphthyridin-5(6H)-oneHCID 53363355n-[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-fluorobenzene-1-sulfonamide

Product 1

HCID 58229475HCID 58229475, compound

Sources & evidence

ORD record
ord-16e8ae3bc70b4bcd82f4e1b81055ebec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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