Hydrochloric Acid → 2-(4-Fluorophenyl)-3-(pyridin-4-yl)-4-(2,4,6-trifluorobenzoylaminomethyl)-1H-pyrrole

HRID 2312910Notes

Reaction equation

HRID 2312910 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[ClH:20].[ClH:21].[F:8][c:9]1[c:10]([C:11](=[O:12])[Cl:13])[c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]1.[NH2:22][CH2:23][c:24]1[c:25](-[c:36]2[cH:37][cH:38][n:39][cH:40][cH:41]2)[c:26](-[c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)[nH:27][cH:28]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42]>>[F:8][c:9]1[c:10]([C:11](=[O:12])[NH:22][CH2:23][c:24]2[c:25](-[c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[c:26](-[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[nH:27][cH:28]2)[c:14]([F:19])[cH:15][c:16]([F:18])[cH:17]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 1448952,4,6-Trifluorobenzoyl chlorideHCID 21922757[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanamine

Product 1

HCID 219228152-(4-Fluorophenyl)-3-(pyridin-4-yl)-4-(2,4,6-trifluorobenzoylaminomethyl)-1H-pyrrole

Sources & evidence

ORD record
ord-835f8c06af884a7dba2fe1291f7fe4ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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