Hydrochloric Acid → HCID 44599258, compound

HRID 94142Notes

Reaction equation

HRID 94142 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:41][OH:42].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([N+:33](=[O:34])[O-:35])[c:14]([O:15][c:16]3[c:17]([Cl:30])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][CH2:22][CH2:21][CH:20]4[C:26](=[O:27])[O:28][CH3:29])[cH:31][cH:32]2)[cH:36][cH:37]1.[ClH:54].[Na+:39].[OH-:38].[OH2:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([N+:33](=[O:34])[O-:35])[c:14]([O:15][c:16]3[c:17]([Cl:30])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][CH2:22][CH2:21][CH:20]4[C:26](=[O:27])[OH:28])[cH:31][cH:32]2)[cH:36][cH:37]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 67080437Methyl 7-(4-((4-chlorophenethyl)carbamoyl)-2-nitrophenoxy)-6-chlorochroman-4-carboxylate

Product 1

HCID 44599258HCID 44599258, compound

Sources & evidence

ORD record
ord-7bd9b35e5ea840e2a94f33ade3357c3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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