Dichloromethane → N-{[1-(4-Benzo[1,3]-dioxol-5-yl-cyclohex-3-enyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide

HRID 1220929Notes

Reaction equation

HRID 1220929 reaction equation
[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[Cl:66][CH2:67][Cl:68].[F:21][C:22]([F:23])([F:24])[C:25]([OH:26])=[O:27].[F:28][C:29]([c:30]1[cH:31][c:32]([C:33](=[O:34])[NH:35][CH2:36][C:37](=[O:38])[OH:39])[cH:40][cH:41][cH:42]1)([F:43])[F:44].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1=[CH:11][CH2:12][CH:13]([N:16]3[CH2:17][CH:18]([NH2:20])[CH2:19]3)[CH2:14][CH2:15]1)[cH:9]2.[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1=[CH:11][CH2:12][CH:13]([N:16]3[CH2:17][CH:18]([NH:20][C:37]([CH2:36][NH:35][C:33]([c:32]4[cH:31][c:30]([C:29]([F:28])([F:43])[F:44])[cH:42][cH:41][cH:40]4)=[O:34])=[O:38])[CH2:19]3)[CH2:14][CH2:15]1)[cH:9]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2777432((3-(Trifluoromethyl)benzoyl)amino)acetic acidHCID 595419931-[4-(1,3-Benzodioxol-5-yl)cyclohex-3-en-1-yl]azetidin-3-amine

Product 1

HCID 56680600N-{[1-(4-Benzo[1,3]-dioxol-5-yl-cyclohex-3-enyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-77f351a7e4924306b10efc751640cc80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…