Bromide ion → 1-(2-toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-cyclohexylcarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Reaction equation
[Br-:51].[Br:30][CH2:31][C:32](=[O:33])[c:34]1[c:35]([CH3:40])[cH:36][cH:37][cH:38][cH:39]1.[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[ClH:43].[Na+:42].[O:1]=[C:2]1[CH:3]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:4][N:5]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[OH-:41]>>[O:1]=[C:2]1[CH:3]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:4][N:5]([C:14](=[O:15])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[N:8]1[CH2:31][C:32](=[O:33])[c:34]1[c:35]([CH3:40])[cH:36][cH:37][cH:38][cH:39]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c1c8ac7636154027bdf0f1b674bf26e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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