Trifluoroacetic acid → HCID 178509917, compound

HRID 166504Notes

Reaction equation

HRID 166504 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7](=[O:33])[n:8]([CH2:16][c:17]3[n:18][n:19]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]34)[cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:34][c:35]([C:37]#[N:38])[cH:36]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7](=[O:33])[n:8]([CH2:16][c:17]3[n:18][nH:19][c:20]4[n:21][cH:22][cH:23][cH:24][c:25]34)[cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:34][c:35]([C:37]#[N:38])[cH:36]1

Participants

3

Sources & evidence

ORD record
ord-0975c4bd13a540ceac2ab2d0f6fa14e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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