Hydrochloric Acid → 7-(2-Fluoro-4-methylsulfanyl-phenylamino)-pyrrolo[1,2-c]pyrimidine-6-carboxylic acid (2-vinyloxy-ethoxy)-amide

HRID 695774Notes

Reaction equation

HRID 695774 reaction equation
[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH:23](=[CH2:24])[O:25][CH2:26][CH2:27][O:28][NH2:29].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:51].[F:1][c:2]1[c:3]([NH:10][c:11]2[c:12]([C:20](=[O:21])[OH:22])[cH:13][c:14]3[n:15]2[cH:16][n:17][cH:18][cH:19]3)[cH:4][cH:5][c:6]([S:8][CH3:9])[cH:7]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[F:1][c:2]1[c:3]([NH:10][c:11]2[c:12]([C:20](=[O:22])[NH:29][O:28][CH2:27][CH2:26][O:25][CH:23]=[CH2:24])[cH:13][c:14]3[n:15]2[cH:16][n:17][cH:18][cH:19]3)[cH:4][cH:5][c:6]([S:8][CH3:9])[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 21867017O-(2-(Vinyloxy)ethyl)hydroxylamineHCID 672360557-(2-Fluoro-4-methylsulfanyl-phenylamino)-pyrrolo[1,2-c]pyrimidine-6-carboxylic acid

Product 1

HCID 866542887-(2-Fluoro-4-methylsulfanyl-phenylamino)-pyrrolo[1,2-c]pyrimidine-6-carboxylic acid (2-vinyloxy-ethoxy)-amide

Sources & evidence

ORD record
ord-3b6766f208a64dc696cab150f9c145a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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