Bromide ion → 1-(2-Toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-(2-thenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Reaction equation
[Br-:42].[Br:1][CH2:2][C:3](=[O:4])[c:5]1[c:6]([CH3:11])[cH:7][cH:8][cH:9][cH:10]1.[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Na+:13].[O:14]=[C:15]1[CH:16]([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:17][N:18]([C:27]([c:28]2[cH:29][cH:30][cH:31][s:32]2)=[O:33])[c:19]2[c:20]([cH:22][c:23]([CH3:26])[cH:24][cH:25]2)[NH:21]1.[OH-:12]>>[CH2:2]([C:3](=[O:4])[c:5]1[c:6]([CH3:11])[cH:7][cH:8][cH:9][cH:10]1)[N:21]1[C:15](=[O:14])[CH:16]([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:17][N:18]([C:27]([c:28]2[cH:29][cH:30][cH:31][s:32]2)=[O:33])[c:19]2[c:20]1[cH:22][c:23]([CH3:26])[cH:24][cH:25]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-b0ccf911dcb2427cb78484ed1c936867
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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