Hydrochloric Acid → Hydrochloric Acid

HRID 2321473Notes

Reaction equation

HRID 2321473 reaction equation
[CH2:29]=[C:30]([CH3:31])[CH3:32].[CH2:38]([Cl:39])[Cl:40].[ClH:1].[Mg+2:18].[NH2:2][CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][c:8]([N+:15](=[O:16])[O-:17])[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[Na+:33].[O-:19][S:20](=[O:21])(=[O:22])[O-:23].[OH:34][C:35](=[O:36])[O-:37].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[ClH:1].[NH2:2][CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][c:8]([N+:15](=[O:16])[O-:17])[c:9]([C:10](=[O:11])[O:12][C:30]([CH3:29])([CH3:31])[CH3:32])[cH:13][cH:14]1

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 8255IsobutyleneHCID 772010444-(1-Aminopropyl)-2-nitrobenzoic acid

Product 2

HCID 313Hydrochloric AcidHCID 67461906Tert-butyl 4-(1-aminopropyl)-2-nitrobenzoate

Sources & evidence

ORD record
ord-a976417c86e04633a2a0e901c26633aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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