Trifluoroacetate → HCID 11214631, compound

HRID 2317519Notes

Reaction equation

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

Participants

Reactant 3

HCID 84468Trifluoroacetate

HCID 11193096[5-(4-Chloro-phenyl)-4-cyclopentylmethyl-2-(2-ethoxy-4-methoxy-phenyl)-4,5-dihydro-imidazol-1-yl]-(4-methyl-piperazin-1-yl)-methanone

HCID 178467013HCID 178467013, compound

Product 1

HCID 11214631HCID 11214631, compound

Sources & evidence

ORD record: ord-9358c69b01144b9f91df25a44ae9d0e3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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