Acetic Acid → 3-(Tert-butylamino)-2-(5-(phenylethynyl)thiophen-2-yl)imidazo[1,2-a]pyrazine-8-carboxylic acid

HRID 304910

Reaction equation

HRID 304910 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]2[n:7]([cH:8][cH:9][n:10]1)[c:11]([NH:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:12](-[c:14]1[s:15][c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18]1)[n:13]2.[CH3:34][C:35](=[O:36])[OH:37].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][OH:48].[CH3:49][C:50]#[N:51].[Cl:38][CH2:39][Cl:40].[Na+:33].[OH-:32]>>[O:2]=[C:3]([OH:4])[c:5]1[c:6]2[n:7]([cH:8][cH:9][n:10]1)[c:11]([NH:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:12](-[c:14]1[s:15][c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18]1)[n:13]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8058HexaneHCID 693188293-(Tert-butylamino)-2-(5-(phenylethynyl)-thiophen-2-yl)imidazo[1,2-a]pyrazine-8-carboxylic acid methyl ester

Product 1

HCID 693229093-(Tert-butylamino)-2-(5-(phenylethynyl)thiophen-2-yl)imidazo[1,2-a]pyrazine-8-carboxylic acid

Sources & evidence

ORD record
ord-d7190393e4f54b1faa5edf237096df43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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