1-Butanol → Hydrochloric Acid

HRID 2330186

Reaction equation

HRID 2330186 reaction equation
[CH2:29]([OH:30])[CH2:31][CH2:32][CH3:33].[Cl:2][CH2:3][CH2:4][N:5]([CH3:6])[CH2:7][CH2:8][Cl:9].[ClH:1].[NH2:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19][c:20]1[O:21][CH3:22].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:34]>>[CH2:3]1[CH2:4][N:5]([CH3:6])[CH2:7][CH2:8][N:10]1[c:11]1[cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19][c:20]1[O:21][CH3:22].[ClH:2]

Participants

9

Reactant 7

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 4033MechlorethamineHCID 19660Carbonate IonHCID 2734814Methyl 3-Amino-4-methoxybenzoate

Product 2

HCID 313Hydrochloric AcidHCID 100613544-Methoxy-3-(4-methyl-piperazin-1-yl)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-40d0ab5f7d384470ab393ba6bfa1ff6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

Loading…