Hydrochloric Acid → HCID 178522188, compound

HRID 672810Notes

Reaction equation

HRID 672810 reaction equation
[CH2:64]([c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[O:71][C:72](=[O:73])[CH:74]1[CH:75]([C:79](=[O:80])[OH:81])[CH2:76][CH2:77][CH2:78]1.[CH2:93]([N:94]=[C:95]=[N:96][CH2:97][CH2:98][CH2:99][N:100]([CH3:101])[CH3:102])[CH3:103].[CH:104]([N:105]([CH2:106][CH3:107])[CH:108]([CH3:109])[CH3:110])([CH3:111])[CH3:112].[Cl:113][CH2:114][Cl:115].[ClH:92].[F:1][c:2]1[c:3]([NH:14][C:15](=[O:16])[c:17]2[n:18][c:19](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[o:20][c:21]2[C:22]([F:23])([F:24])[F:25])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:7]1.[NH2:50][c:51]1[cH:52][cH:53][c:54]([N:55]2[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2)[cH:61][c:62]1[F:63].[OH:82][n:83]1[c:84]2[cH:85][cH:86][cH:87][cH:88][c:89]2[n:90][n:91]1.[c:32]1(-[c:33]2[o:34][c:35]([C:36]([F:37])([F:38])[F:39])[c:40]([C:41]([OH:42])=[O:43])[n:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[F:1][c:2]1[c:3]([NH:14][C:15](=[O:16])[c:17]2[n:18][c:19](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[o:20][c:21]2[C:22]([F:23])([F:24])[F:25])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:79]([CH:75]3[CH:74]([C:72]([O:71][CH2:64][c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)=[O:73])[CH2:78][CH2:77][CH2:76]3)=[O:80])[CH2:12][CH2:13]2)[cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27764382-Phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acidHCID 66738491HCID 66738491, compoundHCID 66738689HCID 66738689, compoundHCID 66738698HCID 66738698, compound

Product 1

HCID 178522188HCID 178522188, compound

Sources & evidence

ORD record
ord-902c18ab486344e294a2825935c03f10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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