Hydrochloric Acid → HCID 178487386, compound

HRID 1240539Notes

Reaction equation

HRID 1240539 reaction equation
[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([CH2:47][CH2:48][NH2:49])=[O:50].[CH3:98][CH2:99][O:100][C:101](=[O:102])[CH3:103].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:40].[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH:29]([CH3:30])[c:31]3[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]3)[c:15](-[c:17]3[cH:18][c:19]4[cH:20][cH:21][c:22]([O:27][CH3:28])[cH:23][c:24]4[cH:25][cH:26]3)[cH:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[O:93]=[CH:94][N:95]([CH3:96])[CH3:97].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][P+:69]([N:70]2[CH2:71][CH2:72][CH2:73][CH2:74]2)([N:75]2[CH2:76][CH2:77][CH2:78][CH2:79]2)[N:80]2[CH2:81][CH2:82][CH2:83][CH2:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][c:90]2[n:91][n:92]1>>[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH:29]([CH3:30])[c:31]3[cH:32][cH:33][c:34]([C:35](=[O:37])[NH:49][CH2:48][CH2:47][C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:50])[cH:38][cH:39]3)[c:15](-[c:17]3[cH:18][c:19]4[cH:20][cH:21][c:22]([O:27][CH3:28])[cH:23][c:24]4[cH:25][cH:26]3)[cH:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 4192171tert-Butyl 3-aminopropanoateHCID 674863884-[1-[3-[2-Fluoro-5-(trifluoromethyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoic acid

Product 1

HCID 178487386HCID 178487386, compound

Sources & evidence

ORD record
ord-40f6d376ba934feca7ac47055801ffa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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