Hydrochloric Acid → Hydrochloric Acid

HRID 1539180Notes

Reaction equation

HRID 1539180 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][N:11]2[CH2:12][CH2:13][S:14][CH2:15][CH:16]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:17]2=[O:18])[cH:27][cH:28]1.[ClH:29].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][N:11]2[CH2:12][CH2:13][S:14][CH2:15][CH:16]([NH2:19])[C:17]2=[O:18])[cH:27][cH:28]1.[ClH:29]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 57722320Tert-butyl[4-(4-butoxybenzyl)-5-oxoperhydro-1,4-thiazepin-6-yl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 577222586-Amino-4-[(4-butoxyphenyl)methyl]-1,4-thiazepan-5-one

Sources & evidence

ORD record
ord-5e7239b3ea6f4ddea7d7c76963303d8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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