Toluene → 1-t-butoxycarbonyl-4-(1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-benzimidazol-2-yl)[1,4]diazepane
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][c:17]3[c:18]([n:19]2[CH2:20][CH2:21][OH:22])[cH:23][cH:24][cH:25][cH:26]3)[CH2:12][CH2:13][CH2:14]1.[CH2:45]([P:46]([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[N:27]([C:28]([N:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1)=[O:35])=[N:36][C:37]([N:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1)=[O:44].[OH:58][CH2:59][C:60]([F:61])([F:62])[F:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][c:17]3[c:18]([n:19]2[CH2:20][CH2:21][O:22][CH2:59][C:60]([F:61])([F:62])[F:63])[cH:23][cH:24][cH:25][cH:26]3)[CH2:12][CH2:13][CH2:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-83912114b1ca42188af68a0ea610573e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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