Ethanol → Hydrochloric Acid

HRID 169382노트

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HRID 169382 반응식
[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]

참가 물질

5

반응물 3

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

생성물 2

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

출처 및 근거

ORD 기록
ord-d08a91f8c5ca4a50b926ed8f2d9f26f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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