Bicarbonate Ion → N-(3-(3-(4-methoxyphenyl)-1-(6-(methylamino)pyrimidin-4-yl)-1H-indol-6-yl)phenyl)-3-morpholino-5-(trifluoromethyl)benzamide

HRID 1113429Notes

Reaction equation

HRID 1113429 reaction equation
[C:85](=[O:86])([OH:87])[O-:88].[CH2:90]1[O:91][CH2:92][CH2:93][CH2:94]1.[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[NH2:44][c:45]1[cH:46][c:47](-[c:51]2[cH:52][cH:53][c:54]3[c:55](-[c:68]4[cH:69][cH:70][c:71]([O:74][CH3:75])[cH:72][cH:73]4)[cH:56][n:57](-[c:60]4[cH:61][c:62]([NH:66][CH3:67])[n:63][cH:64][n:65]4)[c:58]3[cH:59]2)[cH:48][cH:49][cH:50]1.[Na+:89].[O:25]1[CH2:26][CH2:27][N:28]([c:31]2[cH:32][c:33]([C:34](=[O:35])[O-:36])[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]2)[CH2:29][CH2:30]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[O:25]1[CH2:26][CH2:27][N:28]([c:31]2[cH:32][c:33]([C:34](=[O:36])[NH:44][c:45]3[cH:46][c:47](-[c:51]4[cH:52][cH:53][c:54]5[c:55](-[c:68]6[cH:69][cH:70][c:71]([O:74][CH3:75])[cH:72][cH:73]6)[cH:56][n:57](-[c:60]6[cH:61][c:62]([NH:66][CH3:67])[n:63][cH:64][n:65]6)[c:58]5[cH:59]4)[cH:48][cH:49][cH:50]3)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]2)[CH2:29][CH2:30]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 509920026-(6-(3-aminophenyl)-3-(4-methoxyphenyl)-1H-indol-1-yl)-N-methylpyrimidin-4-amineHCID 866513803-Morpholino-5-(trifluoromethyl)benzoate

Product 1

HCID 50992088N-(3-(3-(4-methoxyphenyl)-1-(6-(methylamino)pyrimidin-4-yl)-1H-indol-6-yl)phenyl)-3-morpholino-5-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-4a6c9843686948319d7b66cce1bdea2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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