Hydrochloric Acid → Prop-2-enyl 1-[[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

HRID 667554Notes

Reaction equation

HRID 667554 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][C:7]2([CH3:27])[C:8](=[O:26])[N:9]([c:18]3[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]3)[c:10]3[n:11]2[c:12]([C:15](=[O:16])[OH:17])[cH:13][n:14]3)[cH:28][cH:29]1.[CH2:31]([CH:32]=[CH2:33])[O:34][C:35](=[O:36])[C:37]1([NH2:40])[CH2:38][CH2:39]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[ClH:30].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][C:7]2([CH3:27])[C:8](=[O:26])[N:9]([c:18]3[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]3)[c:10]3[n:11]2[c:12]([C:15](=[O:16])[NH:40][C:37]2([C:35]([O:34][CH2:31][CH:32]=[CH2:33])=[O:36])[CH2:38][CH2:39]2)[cH:13][n:14]3)[cH:28][cH:29]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 18338046HCID 18338046, compoundHCID 58431132HCID 58431132, compound

Product 1

HCID 67389821Prop-2-enyl 1-[[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-03bc86ff8cad4eb4a981745eda0843a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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