Tetrahydrofuran → 2-Bromo-2-methyl-N-(8-bromo-4,5-dihydrothiazolo[4,5-d]benzo[b]oxepin-2-yl)carbamoylpropanamide

반응식

[Br:22][C:23]([C:24](=[O:25])[N:26]=[C:27]=[O:28])([CH3:29])[CH3:30].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:16]1)-[c:6]1[c:7]([cH:11][c:12]([Br:15])[cH:13][cH:14]1)[O:8][CH2:9][CH2:10]2.[O:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:16]1)-[c:6]1[c:7]([cH:11][c:12]([Br:15])[cH:13][cH:14]1)[O:8][CH2:9][CH2:10]2)[C:27]([NH:26][C:24]([C:23]([Br:22])([CH3:29])[CH3:30])=[O:25])=[O:28]

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 579002668-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamine

HCID 866523302-Bromo-2-methylpropanoyl isocyanate

생성물 1

HCID 582038232-Bromo-2-methyl-N-(8-bromo-4,5-dihydrothiazolo[4,5-d]benzo[b]oxepin-2-yl)carbamoylpropanamide

출처 및 근거

ORD 기록: ord-63fdb87298f445fdb85322ad7c97cced
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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