Water → N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]-3-(1,1-dimethylprop-2-yn-1-yl)benzamide

HRID 2130271Notes

Reaction equation

HRID 2130271 reaction equation
[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH3:51][N:52]([CH3:53])[C:54](=[O:55])[CH3:56].[Cl:45][C:46]([C:47]([Cl:48])=[O:49])=[O:50].[NH2:20][c:21]1[cH:22][c:23]([O:24][c:25]2[cH:26][cH:27][c:28]3[c:29]([n:30]2)[s:31][c:32]([NH:34][C:35](=[O:36])[CH:37]2[CH2:38][CH2:39]2)[n:33]3)[cH:40][cH:41][c:42]1[F:43].[OH2:44]>>[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:20][c:21]2[cH:22][c:23]([O:24][c:25]3[cH:26][cH:27][c:28]4[c:29]([n:30]3)[s:31][c:32]([NH:34][C:35](=[O:36])[CH:37]3[CH2:38][CH2:39]3)[n:33]4)[cH:40][cH:41][c:42]2[F:43])[cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 31374DimethylacetamideHCID 65578Oxalyl chlorideHCID 862274143-(2-Methylbut-3-yn-2-yl)benzoic acidHCID 86646022N-[5-(3-amino-4-fluorophenoxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 59506931N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]-3-(1,1-dimethylprop-2-yn-1-yl)benzamide

Sources & evidence

ORD record
ord-756d3eb72885496c9ca62faad27e47ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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