Hydrochloric Acid → HCID 178425557, compound

HRID 682943Notes

Reaction equation

HRID 682943 reaction equation
[CH3:18][C:19]1([c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[CH:20]([C:22](=[O:23])[OH:24])[CH2:21]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[ClH:1].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:9][c:10]1[F:11].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:2]([CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:9][c:10]1[F:11])[C:22]([CH:20]1[C:19]([CH3:18])([c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[CH2:21]1)=[O:23]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamideHCID 623881582-Methyl-2-[4-(trifluoromethyl)phenyl]cyclopropanecarboxylic acid

Product 1

HCID 178425557HCID 178425557, compound

Sources & evidence

ORD record
ord-736b849740014a0ca7381bed613bae32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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