Hydrochloric Acid → N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-3-(trifluoromethyl)benzamide

HRID 140812Notes

Reaction equation

HRID 140812 reaction equation
[B-:23]([F:24])([F:25])([F:26])[F:27].[CH2:73]([OH:74])[CH3:75].[CH3:1][c:2]1[n:3][n:4](-[c:10]2[c:11]([C:19]([F:20])([F:21])[F:22])[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]2)[c:5]2[c:6]1[CH2:7][CH2:8][CH2:9]2.[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[Cl:54][c:55]1[cH:56][c:57]2[c:58]([nH:59][c:60]([CH:62]([CH3:63])[NH2:64])[n:61]2)[cH:65][cH:66]1.[Cl:67].[Cl:76][CH2:77][Cl:78].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[CH3:1][c:2]1[n:3][n:4](-[c:10]2[c:11]([C:19]([F:20])([F:21])[F:22])[cH:12][c:13]([C:14](=[O:15])[NH:64][CH:62]([c:60]3[nH:59][c:58]4[c:57]([cH:56][c:55]([Cl:54])[cH:66][cH:65]4)[n:61]3)[CH3:63])[cH:17][cH:18]2)[c:5]2[c:6]1[CH2:7][CH2:8][CH2:9]2

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 693125584-(3-methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-3-trifluoromethylbenzoic acidHCID 178463384HCID 178463384, compound

Product 1

HCID 178433903N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-28f381aed5e14ecca727347044c54c05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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