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

HRID 93819Notes

Reaction equation

HRID 93819 reaction equation
[Br-:64].[C:39]([NH:40][CH:41]1[C:42](=[O:43])[N:44]2[CH:45]([C:46]([OH:47])=[O:48])[CH2:49][CH2:50][CH2:51][N:52]2[C:53](=[O:54])[CH2:55][CH2:56]1)(=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:66][CH2:67][Cl:68].[K+:65].[O:1]=[C:2]1[N:3]2[N:4]([C:5](=[O:27])[CH:6]([NH:9][C:10](=[O:11])[O:12][CH2:13][CH:14]3[c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]4-[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[CH2:7][CH2:8]1)[CH:28]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:29][CH2:30][CH2:31]2>>[O:1]=[C:2]1[N:3]2[N:4]([C:5](=[O:27])[CH:6]([NH:9][C:10](=[O:11])[O:12][CH2:13][CH:14]3[c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]4-[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[CH2:7][CH2:8]1)[CH:28]([C:32](=[O:33])[OH:34])[CH2:29][CH2:30][CH2:31]2

Participants

6

Reactant 5

HCID 259Bromide ionHCID 813Potassium CationHCID 6344DichloromethaneHCID 18465722HCID 18465722, compoundHCID 18465907HCID 18465907, compound

Product 1

HCID 184657477-(9H-fluoren-9-ylmethoxycarbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid

Sources & evidence

ORD record
ord-467d7ac6d19c46c89527a30d7663ddbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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