Water → HCID 59750361, compound

HRID 696020Notes

Reaction equation

HRID 696020 reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[F:30][c:31]1[cH:32][cH:33][c:34]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:35][cH:36]1.[O:1]=[c:2]1[n:3][c:4](-[c:12]2[cH:13][cH:14][cH:15][c:16]([CH2:18][S:19]([O-:20])(=[O:21])=[O:22])[n:17]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[O:1]=[c:2]1[n:3][c:4](-[c:12]2[cH:13][cH:14][cH:15][c:16]([CH2:18][N:40]3[CH2:39][CH2:38][N:37]([c:34]4[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]4)[CH2:42][CH2:41]3)[n:17]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 752601-(4-Fluorophenyl)piperazineHCID 865964626-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridylmethanesulfonate

Product 1

HCID 59750361HCID 59750361, compound

Sources & evidence

ORD record
ord-a9e41cef58004237bbfce761eb37b2bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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