Hydrochloric Acid → Hydrochloric Acid

HRID 318458Notes

Reaction equation

HRID 318458 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[c:7]([CH:10]=[C:11]2[N:12]([CH2:22][c:23]3[c:24]([CH3:29])[n:25][o:26][c:27]3[CH3:28])[C:13](=[O:21])[N:14]([CH2:17][CH2:18][CH2:19][CH3:20])[C:15]2=[O:16])[cH:8][n:9]1.[Cl:47][CH2:48][c:49]1[c:50]([CH3:51])[n:52][o:53][c:54]1[CH3:55].[ClH:56].[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[c:7]([CH:10]=[C:11]2[N:12]([CH2:22][c:23]3[c:24]([CH3:29])[n:25][o:26][c:27]3[CH3:28])[C:13](=[O:21])[N:14]([CH2:17][CH2:18][CH2:19][CH3:20])[C:15]2=[O:16])[cH:8][n:9]1.[ClH:47]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 88246Isoxazole, 4-(chloromethyl)-3,5-dimethyl-HCID 53819767Methyl 4-[[2-butyl-5-[[1-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate

Product 2

HCID 313Hydrochloric AcidHCID 53819767Methyl 4-[[2-butyl-5-[[1-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate

Sources & evidence

ORD record
ord-06d1cf9731cd4ff2b5bf3b8ba018584d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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