Ethanol → Hydrochloric Acid

HRID 169382Notes

Reaction equation

HRID 169382 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[O:6][CH2:7][CH2:8][C:9]([CH2:12][Cl:13])=[C:10]2[CH3:11].[CH3:20][CH2:21][OH:22].[NH2:16][C:17]([NH2:18])=[S:19]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[O:6][CH2:7][CH2:8][C:9]([CH2:12][S:19][C:17](=[NH:16])[NH2:18])=[C:10]2[CH3:11].[ClH:13]

Participants

5

Reactant 3

HCID 702EthanolHCID 2723790ThioureaHCID 866854227-Bromo-4-(chloromethyl)-5-methyl-2,3-dihydrobenzo[b]oxepine

Product 2

HCID 313Hydrochloric AcidHCID 86685424(7-Bromo-5-methyl-2,3-dihydro-1-benzoxepin-4-yl)methyl carbamimidothioate

Sources & evidence

ORD record
ord-d08a91f8c5ca4a50b926ed8f2d9f26f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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