1-Butanol → Hydrochloric Acid

HRID 688420Notes

Reaction equation

HRID 688420 reaction equation
[CH2:37]([OH:38])[CH2:39][CH2:40][CH3:41].[CH3:9][C:10]1([CH3:30])[O:11][c:12]2[c:13]([c:22]([CH3:29])[c:23]([NH2:28])[c:24]([CH3:27])[c:25]2[CH3:26])[CH:14]1[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1.[Cl:2][CH2:3][CH2:4][NH:5][CH2:6][CH2:7][Cl:8].[ClH:1].[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36]>>[CH2:3]1[CH2:4][NH:5][CH2:6][CH2:7][N:28]1[c:23]1[c:22]([CH3:29])[c:13]2[c:12]([c:25]([CH3:26])[c:24]1[CH3:27])[O:11][C:10]([CH3:9])([CH3:30])[CH:14]2[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1.[ClH:2]

Participants

8

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 9533Bis(2-chloroethyl)amineHCID 19660Carbonate IonHCID 106853092,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-amine

Product 2

HCID 313Hydrochloric AcidHCID 10109387HCID 10109387, compound

Sources & evidence

ORD record
ord-497352a2a2e549d780f460637a71b093
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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