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2-Mercaptoethanol → Methyl 11-(2-hydroxyethyl)thio-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate

HRID 197621
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HRID 197621 반응식
[CH2:38]([Cl:39])[Cl:40].[F:21][C:22]([F:23])([F:24])[C:25]([O:26][C:27](=[O:28])[C:29]([F:30])([F:31])[F:32])=[O:33].[OH:1][CH:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH3:20])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[SH:34][CH2:35][CH2:36][OH:37]>>[CH:2]1([S:34][CH2:35][CH2:36][OH:37])[c:3]2[c:4]([cH:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH3:20])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2
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HCID 15672-MercaptoethanolHCID 6344DichloromethaneHCID 9845Trifluoroacetic anhydrideHCID 2769059Methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

생성물 1

HCID 10336760Methyl 11-(2-hydroxyethyl)thio-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate

출처 및 근거

ORD 기록
ord-9da906f133b449648ac8e96537dca17b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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