2,2,2-Trifluoroethanol → HCID 11373783, compound

HRID 172878Notes

Reaction equation

HRID 172878 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[O:26]=[C:27]([O:28][CH2:29][CH3:30])[N:31]=[N:32][C:33]([O:34][CH2:35][CH3:36])=[O:37].[OH:57][CH2:58][C:59]([F:60])([F:61])[F:62].[c:1]1([C:7]2=[C:11]([NH:12][c:13]3[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]3)[C:10](=[O:24])[NH:9][C:8]2=[O:25])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:1]1([C:7]2=[C:11]([NH:12][c:13]3[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]3)[C:10](=[O:24])[N:9]([CH2:58][C:59]([F:60])([F:61])[F:62])[C:8]2=[O:25])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 64092,2,2-TrifluoroethanolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 68408486HCID 68408486, compound

Product 1

HCID 11373783HCID 11373783, compound

Sources & evidence

ORD record
ord-8bb5792c32b74bd3992ce037c57d18db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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