1-Butanol → Hydrochloric Acid

HRID 147368

Reaction equation

HRID 147368 reaction equation
[CH2:29]([OH:30])[CH2:31][CH2:32][CH3:33].[CH3:2][N:3]([CH2:4][CH2:5][Cl: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]>>[CH3:2][N:3]1[CH2:4][CH2:5][N:10]([c:11]2[cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19][c:20]2[O:21][CH3:22])[CH2:8][CH2:7]1.[ClH:6]

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-5a5101bb219144f1ba4158650d71d26f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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