Hydrochloric Acid → 6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-N-cyclohexylmethylnicotinamide

HRID 1573807Notes

Reaction equation

HRID 1573807 reaction equation
[CH2:9]([N:10]=[C:11]=[N:12][CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[CH3:19].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[CH:38]([c:39]2[cH:40][cH:41][c:42]([C:45](=[O:46])[OH:47])[cH:43][n:44]2)[c:48]2[c:49]([F:55])[cH:50][cH:51][c:52]([F:54])[cH:53]2)[cH:33][cH:34]1.[Cl:65][CH2:66][Cl:67].[ClH:8].[NH2:20][CH2:21][CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1>>[NH:20]([CH2:21][CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1)[C:45]([c:42]1[cH:41][cH:40][c:39]([CH:38]([S:35]([c:32]2[cH:31][cH:30][c:29]([Cl:28])[cH:34][cH:33]2)(=[O:36])=[O:37])[c:48]2[c:49]([F:55])[cH:50][cH:51][c:52]([F:54])[cH:53]2)[n:44][cH:43]1)=[O:46]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 76688CyclohexanemethylamineHCID 23114724[6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-3-yl]carboxylic acid

Product 1

HCID 231146576-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-N-cyclohexylmethylnicotinamide

Sources & evidence

ORD record
ord-6832c64e200f4d4abcb21b89ff120669
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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