Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amine → HCID 76702716, compound

HRID 673249Notes

Reaction equation

HRID 673249 reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([NH:18][C:19](=[O:20])[N:21]([c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[CH2:32][CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37]3)[s:17]2)[CH2:7][CH2:8][CH2:9]1.[CH3:84][O:85][C:86]([CH:87]1[CH2:88][CH2:89][CH2:90][N:91]1[S:92]([c:93]1[s:94][c:95]([NH2:96])[n:97][cH:98]1)(=[O:99])=[O:100])=[O:101].[CH:38]1([CH2:39][N:40]([c:41]2[cH:42][cH:43][c:44]([S:45]([CH3:46])(=[O:47])=[O:48])[cH:49][cH:50]2)[C:51](=[O:52])[NH:53][c:54]2[s:55][cH:56][c:57]([CH2:58][C:59]([OH:60])=[O:61])[n:62]2)[CH2:63][CH2:64][CH2:65][CH2:66]1.[CH:67]1([CH2:68][NH:69][c:70]2[cH:71][cH:72][c:73]([S:74]([CH3:75])(=[O:76])=[O:77])[cH:78][cH:79]2)[CH2:80][CH2:81][CH2:82][CH2:83]1>>[O:2]=[C:3]([OH:4])[CH:5]1[N:6]([S:10](=[O:11])(=[O:12])[c:13]2[cH:14][n:15][c:16]([NH:18][C:19](=[O:20])[N:21]([c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[CH2:32][CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37]3)[s:17]2)[CH2:7][CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 43453307Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amineHCID 57668194{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acidHCID 86253784Methyl 1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylateHCID 87216257Methyl 1-[[2-[[cyclopentylmethyl-(4-methylsulfonylphenyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfonyl]pyrrolidine-2-carboxylate

Product 1

HCID 76702716HCID 76702716, compound

Sources & evidence

ORD record
ord-8a4695187ae04ed7abb80d42d830114c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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