Hydrochloric Acid → 1-{1-[3-(4-fluorophenyl)-2,2-dimethylpropionyl]-piperidin-3-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
Reaction equation
[CH3:2][n:3]1[n:4][n:5][n:6][c:7]1-[c:8]1[cH:9][c:10]([NH:14][C:15](=[O:16])[NH:17][CH2:18][CH:19]2[CH2:20][NH:21][CH2:22][CH2:23][CH2:24]2)[cH:11][cH:12][cH:13]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:79][CH2:80][Cl:81].[ClH:1].[F:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][C:33]([C:34](=[O:35])[OH:36])([CH3:37])[CH3:38])[cH:30][cH:31]1.[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][P+:55]([N:56]2[CH2:57][CH2:58][CH2:59][CH2:60]2)([N:61]2[CH2:62][CH2:63][CH2:64][CH2:65]2)[N:66]2[CH2:67][CH2:68][CH2:69][CH2:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[CH3:2][n:3]1[n:4][n:5][n:6][c:7]1-[c:8]1[cH:9][c:10]([NH:14][C:15](=[O:16])[NH:17][CH2:18][CH:19]2[CH2:20][N:21]([C:34]([C:33]([CH2:32][c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)([CH3:37])[CH3:38])=[O:35])[CH2:22][CH2:23][CH2:24]2)[cH:11][cH:12][cH:13]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-6b6e75856de54033bdd7c41428ab3ab5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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