Hydrochloric Acid → HCID 178443678, compound

HRID 204423Notes

Reaction equation

HRID 204423 reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH2:32].[C:40]([Cl:41])(=[O:42])[C:43]([CH3:44])([CH3:45])[CH3:46].[CH2:47]([CH3:48])[O:49][C:50](=[O:51])[C:52]1([NH:57][C:58](=[O:59])[CH:60]2[CH2:61][CH:62]([O:65][C:66](=[O:67])[N:68]3[CH2:69][c:70]4[cH:71][cH:72][cH:73][c:74]([F:77])[c:75]4[CH2:76]3)[CH2:63][NH:64]2)[CH:53]([CH:55]=[CH2:56])[CH2:54]1.[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[CH3:33][N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[CH:1]1([NH2+:2][CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[ClH:78].[OH2:84]>>[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:25])[N:64]1[CH:60]([C:58]([NH:57][C:52]2([C:50]([O:49][CH2:47][CH3:48])=[O:51])[CH:53]([CH:55]=[CH2:56])[CH2:54]2)=[O:59])[CH2:61][CH:62]([O:65][C:66](=[O:67])[N:68]2[CH2:69][c:70]3[cH:71][cH:72][cH:73][c:74]([F:77])[c:75]3[CH2:76]2)[CH2:63]1)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH2:32]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62493Pivaloyl chlorideHCID 3770554DicyclohexylammoniumHCID 222502222-((tert-Butoxycarbonyl)amino)non-8-enoic acidHCID 72334544[5-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Product 1

HCID 178443678HCID 178443678, compound

Sources & evidence

ORD record
ord-400c75b65d014ee88611384ad1925866
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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