Ethyl 2-(2-aminothiazol-5-ylthio)acetate → {2-[3-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-cyclopentylmethyl-ureido]-thiazol-5-ylsulfanyl}-acetic acid

HRID 121335Notes

Reaction equation

HRID 121335 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]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][cH:24][c:25]3[c:29]([cH:30]2)[N:28]([C:31]([CH3:32])=[O:33])[CH2:27][CH2:26]3)[s:11]1)=[O:34].[CH2:83]([O:84][C:85](=[O:86])[CH2:87][S:88][c:89]1[s:90][c:91]([NH2:92])[n:93][cH:94]1)[CH3:95].[CH:35]1([CH2:36][N:37]([c:38]2[cH:39][cH:40][c:41]([S:42]([CH3:43])(=[O:44])=[O:45])[cH:46][cH:47]2)[C:48](=[O:49])[NH:50][c:51]2[s:52][cH:53][c:54]([CH2:55][C:56]([OH:57])=[O:58])[n:59]2)[CH2:60][CH2:61][CH2:62][CH2:63]1.[CH:64]1([CH2:65][NH:66][c:67]2[cH:68][c:69]3[c:70]([cH:77][cH:78]2)[CH2:71][CH2:72][N:73]3[C:74](=[O:75])[CH3:76])[CH2:79][CH2:80][CH2:81][CH2:82]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]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][cH:24][c:25]3[c:29]([cH:30]2)[N:28]([C:31]([CH3:32])=[O:33])[CH2:27][CH2:26]3)[s:11]1)[OH:34]

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 669621801-{6-[(Cyclopentylmethyl)amino]-2,3-dihydro-1H-indol-1-yl}ethan-1-oneHCID 86629949{2-[3-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-3-cyclopentylmethyl-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester

Product 1

HCID 57668235{2-[3-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-cyclopentylmethyl-ureido]-thiazol-5-ylsulfanyl}-acetic acid

Sources & evidence

ORD record
ord-e0aa3d306d3141429d127f3fd2ecfb74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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