Hydrochloric Acid → 4-fluoro-5-(3-fluoro-2-methyl-5-(3-(pyrimidin-2-yl)oxetan-3-ylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 1225772Notes

Reaction equation

HRID 1225772 reaction equation
[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[ClH:33].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]3[c:16]([c:17]([C:27]([NH:28][CH3:29])=[O:30])[c:18](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[o:19]3)[c:31]2[F:32])[c:10]1[CH3:11].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH2:90].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:34]1[c:35]([C:40]2([NH2:44])[CH2:41][O:42][CH2:43]2)[n:36][cH:37][cH:38][cH:39]1.[n:52]1([O:53][P+:54]([N:55]2[CH2:56][CH2:57][CH2:58][CH2:59]2)([N:60]2[CH2:61][CH2:62][CH2:63][CH2:64]2)[N:65]2[CH2:66][CH2:67][CH2:68][CH2:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:44][C:40]2([c:35]3[n:34][cH:39][cH:38][cH:37][n:36]3)[CH2:41][O:42][CH2:43]2)[cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]3[c:16]([c:17]([C:27]([NH:28][CH3:29])=[O:30])[c:18](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[o:19]3)[c:31]2[F:32])[c:10]1[CH3:11]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 584729003-Fluoro-5-(4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methylbenzoic acidHCID 679578133-Pyrimidin-2-yloxetan-3-amine

Product 1

HCID 679577154-fluoro-5-(3-fluoro-2-methyl-5-(3-(pyrimidin-2-yl)oxetan-3-ylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-e3ee53d2139d4147bf7481fd4fddc067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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