Ethyl 2-(2-aminothiazol-5-ylthio)acetate → HCID 57668428, compound

HRID 664879Notes

Reaction equation

HRID 664879 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([c:16]2[c:17]([F:23])[cH:18][c:19]([F:22])[cH:20][cH:21]2)[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[s:11]1)=[O:30].[CH2:75]([O:76][C:77](=[O:78])[CH2:79][S:80][c:81]1[s:82][c:83]([NH2:84])[n:85][cH:86]1)[CH3:87].[CH:31]1([CH2:32][N:33]([c:34]2[cH:35][cH:36][c:37]([S:38]([CH3:39])(=[O:40])=[O:41])[cH:42][cH:43]2)[C:44](=[O:45])[NH:46][c:47]2[s:48][cH:49][c:50]([CH2:51][C:52]([OH:53])=[O:54])[n:55]2)[CH2:56][CH2:57][CH2:58][CH2:59]1.[CH:60]1([CH2:61][NH:62][c:63]2[cH:64][cH:65][c:66]([F:67])[cH:68][c:69]2[F:70])[CH2:71][CH2:72][CH2:73][CH2:74]1>>[O:3]=[C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([c:16]2[c:17]([F:23])[cH:18][c:19]([F:22])[cH:20][cH:21]2)[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[s:11]1)[OH:30]

Participants

5

Reactant 4

HCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 57668194{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acidHCID 61345172N-(Cyclopentylmethyl)-2,4-difluoroanilineHCID 86629923HCID 86629923, compound

Product 1

HCID 57668428HCID 57668428, compound

Sources & evidence

ORD record
ord-81cc811784d048c3b283318e65deb5f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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