Ethanesulfonamide → N-(3-tert-Butyl-phenyl)-4-[4-(4-ethanesulfonylaminocarbonyl-cyclohexanecarbonyl)-piperazin-1-yl]-benzamide

HRID 1573883Notes

Reaction equation

HRID 1573883 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([N:20]3[CH2:21][CH2:22][N:23]([C:26](=[O:27])[CH:28]4[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]4)[CH2:24][CH2:25]3)[cH:18][cH:19]2)[cH:8][cH:9][cH:10]1.[CH2:37]([CH3:38])[S:39](=[O:40])(=[O:41])[NH2:42].[I:43][c:44]1[cH:45][cH:46][c:47]([NH:48][C:49]([c:50]2[cH:51][cH:52][c:53]([N:54]3[CH2:55][CH2:56][CH:57]([C:58]([NH:59][S:60]([C:61]([CH3:62])([CH3:63])[CH3:64])(=[O:65])=[O:66])=[O:67])[CH2:68][CH2:69]3)[n:70][cH:71]2)=[O:72])[cH:73][c:74]1[CH3:75]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([N:20]3[CH2:21][CH2:22][N:23]([C:26](=[O:27])[CH:28]4[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[NH:42][S:39]([CH2:37][CH3:38])(=[O:40])=[O:41])[CH2:32][CH2:33]4)[CH2:24][CH2:25]3)[cH:18][cH:19]2)[cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 73702EthanesulfonamideHCID 593179844-(2-methyl-propane-2-sulfonylaminocarbonyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (4-iodo-3-methyl-phenyl)-amideHCID 593180404-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-phenyl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid

Product 1

HCID 59318127N-(3-tert-Butyl-phenyl)-4-[4-(4-ethanesulfonylaminocarbonyl-cyclohexanecarbonyl)-piperazin-1-yl]-benzamide

Sources & evidence

ORD record
ord-0a14f60eae4641bc9d4fb0d53f4a5f45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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