Water → HCID 59750361, compound

HRID 143330Notes

Reaction equation

HRID 143330 reaction equation
[CH3:1][S:2]([O:3][c:6]1[n:7][c:8](-[c:12]2[s:13][c:14]3[c:15]([c:16](=[O:18])[n:17]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:9][cH:10][cH:11]1)(=[O:4])=[O:5].[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:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[c:6]1([CH2:23][N:40]2[CH2:39][CH2:38][N:37]([c:34]3[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]3)[CH2:42][CH2:41]2)[n:7][c:8](-[c:12]2[s:13][c:14]3[c:15]([c:16](=[O:18])[n:17]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 752601-(4-Fluorophenyl)piperazineHCID 229392726-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl methanesulfonate

Product 1

HCID 59750361HCID 59750361, compound

Sources & evidence

ORD record
ord-af5ad2d1982a43e9838ebdac28429422
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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