Trifluoroacetic acid → HCID 178466799, compound

HRID 1143223Notes

Reaction equation

HRID 1143223 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:46])[c:6]([CH2:40][CH2:41][C:42]([F:43])([F:44])[F:45])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14]([C:36]#[N:37])[c:15]([NH:19][C:20](=[O:21])[c:22]3[n:23][n:24][n:25][n:26]3[CH2:27][c:28]3[cH:29][cH:30][c:31]([O:32][CH3:33])[cH:34][cH:35]3)[cH:16][cH:17][cH:18]2)[cH:38][cH:39]1.[CH3:54][O:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:46])[c:6]([CH2:40][CH2:41][C:42]([F:43])([F:44])[F:45])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14]([C:36]#[N:37])[c:15]([NH:19][C:20](=[O:21])[c:22]3[n:23][n:24][n:25][nH:26]3)[cH:16][cH:17][cH:18]2)[cH:38][cH:39]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 19818629HCID 19818629, compound

Product 1

HCID 178466799HCID 178466799, compound

Sources & evidence

ORD record
ord-29d7fbe51fe44dcdbab08eb9bdbbbf79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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