N-(Cyclohexylmethyl)-2H-1,3-benzodioxol-5-amine → HCID 57668443, compound

HRID 125115Notes

Reaction equation

HRID 125115 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][c:24]3[c:25]([cH:29][cH:30]2)[O:26][CH2:27][O:28]3)[s:11]1)=[O:31].[CH2:78]([O:79][C:80](=[O:81])[CH2:82][S:83][c:84]1[s:85][c:86]([NH2:87])[n:88][cH:89]1)[CH3:90].[CH:32]1([CH2:33][N:34]([c:35]2[cH:36][cH:37][c:38]([S:39]([CH3:40])(=[O:41])=[O:42])[cH:43][cH:44]2)[C:45](=[O:46])[NH:47][c:48]2[s:49][cH:50][c:51]([CH2:52][C:53]([OH:54])=[O:55])[n:56]2)[CH2:57][CH2:58][CH2:59][CH2:60]1.[O:61]1[c:62]2[cH:63][cH:64][c:65]([NH:66][CH2:67][CH:68]3[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]3)[cH:74][c:75]2[O:76][CH2:77]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][c:24]3[c:25]([cH:29][cH:30]2)[O:26][CH2:27][O:28]3)[s:11]1)[OH:31]

Participants

5

Reactant 4

HCID 18778581N-(Cyclohexylmethyl)-2H-1,3-benzodioxol-5-amineHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 57668194{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acidHCID 86629901HCID 86629901, compound

Product 1

HCID 57668443HCID 57668443, compound

Sources & evidence

ORD record
ord-60d0d925c30a4eefbccead6c677b0a1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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