Bicarbonate Ion → N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HRID 167922Notes

Reaction equation

HRID 167922 reaction equation
[C:74](=[O:75])([O-:76])[OH:77].[CH3:79][N:80]([CH3:81])[C:82](=[O:83])[CH3:84].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[F:25][c:26]1[cH:27][cH:28][c:29]([NH:32][C:33](=[O:34])[C:35]2([C:38](=[O:39])[OH:40])[CH2:36][CH2:37]2)[cH:30][cH:31]1.[NH2:1][c:2]1[c:3]([F:24])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1.[Na+:78].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[NH:1]([c:2]1[c:3]([F:24])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1)[C:38]([C:35]1([C:33]([NH:32][c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)=[O:34])[CH2:36][CH2:37]1)=[O:39]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 9886HexafluorophosphateHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210815301-[(4-Fluorophenyl)carbamoyl]cyclopropanecarboxylic AcidHCID 58158468N-[6-(4-amino-3-fluorophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 58158639N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Sources & evidence

ORD record
ord-87425f22f1224841a932f2cce4b79d60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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