Hydrochloric Acid → Hydrochloric Acid
Reaction equation
[CH3:103][CH2:104][O:105][CH2:106][CH3:107].[CH3:108][N:109]([CH3:110])[CH:111]=[O:112].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:100][CH2:101][Cl:102].[Cl:1][c:2]1[c:3]([F:4])[c:5]([O:10][C:11]2=[CH:37][C:35](=[O:36])[N:13]([CH:14]([CH2:15][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[C:22]([NH:23][c:24]3[cH:25][cH:26][n:27]([CH2:28][C:29]([OH:30])([CH3:31])[CH3:32])[n:33]3)=[O:34])[CH2:12]2)[c:6]([F:7])[cH:8][cH:9]1.[Cl:38][C:39]([C:40]([Cl:41])=[O:42])=[O:43].[Cl:62][c:63]1[c:64]([F:98])[c:65]([O:66][C:67]2=[CH:68][C:69](=[O:93])[N:70]([CH:72]([C:73](=[O:74])[NH:75][c:76]3[n:77][n:78]([CH2:81][CH:82]([CH2:83][OH:84])[OH:85])[cH:79][cH:80]3)[CH2:86][CH:87]3[CH2:88][CH2:89][CH2:90][CH2:91][CH2:92]3)[CH2:71]2)[c:94]([F:97])[cH:95][cH:96]1.[ClH:99].[NH2:44][c:45]1[cH:46][cH:47][n:48]([CH2:49][CH:50]([OH:51])[CH2:52][OH:53])[n:54]1>>[Cl:62][c:63]1[c:64]([F:98])[c:65]([O:66][C:67]2=[CH:68][C:69](=[O:93])[N:70]([CH:72]([C:73](=[O:74])[NH:75][c:76]3[n:77][n:78]([CH2:81][CH:82]([CH2:83][OH:84])[OH:85])[cH:79][cH:80]3)[CH2:86][CH:87]3[CH2:88][CH2:89][CH2:90][CH2:91][CH2:92]3)[CH2:71]2)[c:94]([F:97])[cH:95][cH:96]1.[ClH:1]Participants
11
Reactant 9
HCID 313Hydrochloric Acid
HCID 3283Diethyl Ether
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 8471Triethylamine
HCID 65578Oxalyl chloride
HCID 668947303-(3-Amino-1H-pyrazol-1-YL)propane-1,2-diol
HCID 668989042-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide
HCID 668991512-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamideProduct 2
Sources & evidence
- ORD record
- ord-67f925384159438cb5e56dae08b87bdf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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