Hydrochloric Acid → N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyethyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-(trifluoromethyl)benzamide

HRID 1140741Notes

Reaction equation

HRID 1140741 reaction equation
[B-:21]([F:22])([F:23])([F:24])[F:25].[CH2:72]([OH:73])[CH3:74].[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[Cl:52][c:53]1[cH:54][c:55]2[c:56]([nH:57][c:58]([CH:60]([CH2:61][OH:62])[NH2:63])[n:59]2)[cH:64][cH:65]1.[Cl:66].[Cl:75][CH2:76][Cl:77].[N:1]1([C:6](=[O:7])[c:8]2[c:9]([C:17]([F:18])([F:19])[F:20])[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1.[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[N:1]1([C:6](=[O:7])[c:8]2[c:9]([C:17]([F:18])([F:19])[F:20])[cH:10][c:11]([C:12](=[O:14])[NH:63][CH:60]([c:58]3[nH:57][c:56]4[c:55]([cH:54][c:53]([Cl:52])[cH:65][cH:64]4)[n:59]3)[CH2:61][OH:62])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 693126324-(2,5-Dihydropyrrol-1-ylcarbonyl)-3-trifluoromethylbenzoic acidHCID 178511393HCID 178511393, compound

Product 1

HCID 178523451N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyethyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-5587f5be0b1548c189a24595bb5e4107
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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