Hydrochloric Acid → HCID 58592832, compound

HRID 1135426Notes

Reaction equation

HRID 1135426 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][cH:18][c:19]3[N:20]2[CH2:21][CH2:22][N:23]([CH2:26][c:27]3[cH:28][c:29]([F:36])[c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]3)[CH2:24][CH2:25]2)[cH:9][cH:10]1.[CH3:38][O:39][C:40]([CH2:41][NH2:42])=[O:43].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[ClH:37].[O-:44][C:45](=[O:46])[O-:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][cH:18][c:19]3[N:20]2[CH2:21][CH2:22][N:23]([CH2:26][c:27]3[cH:28][c:29]([NH:42][CH2:41][C:40]([O:39][CH3:38])=[O:43])[c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]3)[CH2:24][CH2:25]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 69221Glycine methyl esterHCID 585927062-(4-tert-Butyl-phenyl)-4-[4-(3-fluoro-4-nitro-benzyl)-piperazin-1-yl]-1H-benzoimidazole

Product 1

HCID 58592832HCID 58592832, compound

Sources & evidence

ORD record
ord-4c30848d57df41ba8c02f7ccdc1402a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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