Isobutyric Acid → N-methyl-4-[[2-[[1-(2-methylpropanoyl)piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

HRID 1138903Notes

Reaction equation

HRID 1138903 reaction equation
[CH3:1][CH:2]([CH3:3])[C:4]([OH:5])=[O:6].[CH3:40][NH:41][C:42]([c:43]1[cH:44][c:45]([O:49][c:50]2[cH:51][c:52]3[c:53]([n:54][c:55]([NH:57][CH:58]4[CH2:59][NH:60][CH2:61][CH2:62][CH2:63]4)[s:56]3)[cH:64][cH:65]2)[cH:46][cH:47][n:48]1)=[O:66].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[P-:7]([F:8])([F:9])([F:10])([F:11])([F:12])[F:13].[n:14]1([O:15][C:16]([N:17]([CH3:18])[CH3:19])=[N+:20]([CH3:21])[CH3:22])[c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[CH3:1][CH:2]([CH3:3])[C:4](=[O:6])[N:60]1[CH2:59][CH:58]([NH:57][c:55]2[n:54][c:53]3[c:52]([cH:51][c:50]([O:49][c:45]4[cH:44][c:43]([C:42]([NH:41][CH3:40])=[O:66])[n:48][cH:47][cH:46]4)[cH:65][cH:64]3)[s:56]2)[CH2:63][CH2:62][CH2:61]1

Participants

6

Reactant 5

HCID 6590Isobutyric AcidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 87421364N-methyl-4-[[2-(piperidin-3-ylamino)-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

Product 1

HCID 87421456N-methyl-4-[[2-[[1-(2-methylpropanoyl)piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

Sources & evidence

ORD record
ord-cf463abb5406451e8fbaa02f966cdb1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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