Trifluoroacetic acid → N-[1-(4-Benzo[1,3]dioxol-5-yl-cyclohexyl)-azetidin-3-yl]-2-(5-trifluoromethoxy-benzo[d]isoxazol-3-ylamino)-acetamide

HRID 1147185Notes

Reaction equation

HRID 1147185 reaction equation
[F:24][C:25]([F:26])([F:27])[C:28]([OH:29])=[O:30].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][o:11][c:12]3[c:13]2[cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]3)=[O:23])[CH2:4]1.[O:31]1[CH2:32][O:33][c:34]2[c:35]1[cH:36][cH:37][c:38]([CH:40]1[CH2:41][CH2:42][C:43](=[O:46])[CH2:44][CH2:45]1)[cH:39]2>>[N:1]1([CH:43]2[CH2:42][CH2:41][CH:40]([c:38]3[cH:37][cH:36][c:35]4[c:34]([cH:39]3)[O:33][CH2:32][O:31]4)[CH2:45][CH2:44]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][o:11][c:12]3[c:13]2[cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]3)=[O:23])[CH2:4]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 10932904AGN-PC-0ND25RHCID 67478742N-(azetidin-3-yl)-2-[[5-(trifluoromethoxy)-1,2-benzoxazol-3-yl]amino]acetamide

Product 1

HCID 58548851N-[1-(4-Benzo[1,3]dioxol-5-yl-cyclohexyl)-azetidin-3-yl]-2-(5-trifluoromethoxy-benzo[d]isoxazol-3-ylamino)-acetamide

Sources & evidence

ORD record
ord-1375205fd9da41b59691ae3c40c50f5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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