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Bromide ion → 6,10-dioxo-7-(phenylmethoxycarbonylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid

HRID 108565
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HRID 108565 반응식
[Br-:32].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][C:15](=[O:31])[N:16]2[N:17]([C:18]1=[O:19])[CH:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22][CH2:23]2.[CH3:34][OH:35].[K+:33]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][C:15](=[O:31])[N:16]2[N:17]([C:18]1=[O:19])[CH:20]([C:24](=[O:25])[OH:26])[CH2:21][CH2:22][CH2:23]2
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반응물 4

HCID 259Bromide ionHCID 813Potassium CationHCID 887MethanolHCID 18465660tert-butyl 6,10-dioxo-7-(phenylmethoxycarbonylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylate

생성물 1

HCID 184657216,10-dioxo-7-(phenylmethoxycarbonylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid

출처 및 근거

ORD 기록
ord-dbb0588c0fdd4feb94697a7902c895ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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