N-(Cyclohexylmethyl)-2H-1,3-benzodioxol-5-amine → HCID 57668436, compound

HRID 137869Notes

Reaction equation

HRID 137869 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][CH2:22]2)[c:23]2[cH:24][c:25]3[c:26]([cH:30][cH:31]2)[O:27][CH2:28][O:29]3)[s:11]1)=[O:32].[CH2:79]([O:80][C:81](=[O:82])[CH2:83][S:84][c:85]1[s:86][c:87]([NH2:88])[n:89][cH:90]1)[CH3:91].[CH:33]1([CH2:34][N:35]([c:36]2[cH:37][cH:38][c:39]([S:40]([CH3:41])(=[O:42])=[O:43])[cH:44][cH:45]2)[C:46](=[O:47])[NH:48][c:49]2[s:50][cH:51][c:52]([CH2:53][C:54]([OH:55])=[O:56])[n:57]2)[CH2:58][CH2:59][CH2:60][CH2:61]1.[O:62]1[c:63]2[cH:64][cH:65][c:66]([NH:67][CH2:68][CH:69]3[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]3)[cH:75][c:76]2[O:77][CH2:78]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][CH2:22]2)[c:23]2[cH:24][c:25]3[c:26]([cH:30][cH:31]2)[O:27][CH2:28][O:29]3)[s:11]1)[OH:32]

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 86629912HCID 86629912, compound

Product 1

HCID 57668436HCID 57668436, compound

Sources & evidence

ORD record
ord-2de8405f49524bb78ef5f0bdf522f652
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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