2-Aminothiazole → 3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

HRID 2319517Notes

Reaction equation

HRID 2319517 reaction equation
[C:92]([O:93][CH2:94][CH3:95])(=[O:96])[CH3:97].[CH2:89]([Cl:90])[Cl:91].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[CH:1]1([CH2:7][CH:8]([C:9](=[O:10])[OH:11])[N:12]2[C:13](=[O:25])[c:14]3[cH:15][cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[c:19]3[CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:26]1([CH2:27][CH:28]([N:29]2[CH2:30][c:31]3[c:32]([c:33]([S:34]([CH3:35])(=[O:36])=[O:37])[cH:38][cH:39][cH:40]3)[C:41]2=[O:42])[C:43]([OH:44])=[O:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[CH:57]1([CH2:58][CH:59]([N:60]2[CH2:61][c:62]3[c:63]([cH:64][cH:65][cH:66][cH:67]3)[C:68]2=[O:69])[C:70]([NH:71][c:72]2[s:73][cH:74][cH:75][n:76]2)=[O:77])[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]1.[NH2:51][c:52]1[s:53][cH:54][cH:55][n:56]1>>[CH:1]1([CH2:7][CH:8]([C:9](=[O:10])[NH:51][c:52]2[s:53][cH:54][cH:55][n:56]2)[N:12]2[C:13](=[O:25])[c:14]3[cH:15][cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[c:19]3[CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 21552-AminothiazoleHCID 6344DichloromethaneHCID 8857Ethyl Acetate2×HCID 184022003-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamideHCID 184022083-cyclohexyl-2-(4-methylsulfonyl-3-oxo-1H-isoindol-2-yl)propanoic acidHCID 184022193-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)propanoic acid

Product 1

HCID 184021923-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

Sources & evidence

ORD record
ord-287e2d226cb74354940541717df98a05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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