Hydrochloric Acid → tert-butyl N-[1-[1-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridazine-3-carbonyl]-3-hydroxyazetidin-3-yl]ethyl]carbamate

HRID 1238230Notes

Reaction equation

HRID 1238230 reaction equation
[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:31].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:18](=[O:19])[OH:20])[n:12][n:13]([CH3:17])[c:14](=[O:16])[cH:15]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1.[OH:43][C:44]1([CH:48]([CH3:49])[NH:50][C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH2:45][NH:46][CH2:47]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:18](=[O:20])[N:46]3[CH2:45][C:44]([OH:43])([CH:48]([CH3:49])[NH:50][C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH2:47]3)[n:12][n:13]([CH3:17])[c:14](=[O:16])[cH:15]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 594691014-(2-Fluoro-4-iodophenylamino)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acidHCID 130003094tert-butyl N-[1-(3-hydroxyazetidin-3-yl)ethyl]carbamate

Product 1

HCID 72294410tert-butyl N-[1-[1-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridazine-3-carbonyl]-3-hydroxyazetidin-3-yl]ethyl]carbamate

Sources & evidence

ORD record
ord-5cbe2e4f7b5142a4b7f78b8a538df3bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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