Hydrochloric Acid → HCID 53380354, compound

HRID 294788Notes

Reaction equation

HRID 294788 reaction equation
[CH2:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])[CH3:39].[ClH:54].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1.[F:79][C:80]([F:81])([F:82])[C:83]([OH:84])=[O:85].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:40]1[c:41]([C:50]2([NH2:53])[CH2:51][CH2:52]2)[cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][n:48][c:49]12.[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[n:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:26])[NH:53][C:50]4([c:41]5[n:40][c:49]6[c:44]([cH:43][cH:42]5)[cH:45][cH:46][cH:47][n:48]6)[CH2:51][CH2:52]4)[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58430950HCID 58430950, compoundHCID 592756533-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methylbenzoic acid

Product 1

HCID 53380354HCID 53380354, compound

Sources & evidence

ORD record
ord-cbcfa59a7bd74c0685bb2c3fee4d2327
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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