Dimethylformamide → N-({1-[4-(3-Benzo[1,3]dioxol-5-yl-ureido)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

HRID 2135577Notes

Reaction equation

HRID 2135577 reaction equation
[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[N:1](=[C:2]=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:11][cH:12]1)[O:8][CH2:9][O:10]2.[NH2:13][CH:14]1[CH2:15][CH2:16][CH:17]([N:20]2[CH2:21][CH:22]([NH:24][C:25](=[O:26])[CH2:27][NH:28][C:29]([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)=[O:40])[CH2:23]2)[CH2:18][CH2:19]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[NH:1]([C:2](=[O:3])[NH:13][CH:14]1[CH2:15][CH2:16][CH:17]([N:20]2[CH2:21][CH:22]([NH:24][C:25](=[O:26])[CH2:27][NH:28][C:29]([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)=[O:40])[CH2:23]2)[CH2:18][CH2:19]1)[c:4]1[cH:5][c:6]2[c:7]([cH:11][cH:12]1)[O:8][CH2:9][O:10]2

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 52232135-Isocyanato-1,3-dioxaindaneHCID 59541166N-[2-[[1-(4-aminocyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Product 1

HCID 49763338N-({1-[4-(3-Benzo[1,3]dioxol-5-yl-ureido)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-73bbd48270234f72834270186ddb314a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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