Acetone → 4-(3-Benzo[1,3]dioxol-5-yl-5-{6-[2-(2-ethoxycarbonyl-ethyl)-3-(3-ethoxycarbonyl-propoxy)-phenyl]-hexyloxy}-benzoyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
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]([c:16]2[cH:17][c:18](-[c:23]3[cH:24][c:25]4[c:26]([cH:30][cH:31]3)[O:27][CH2:28][O:29]4)[cH:19][c:20]([OH:22])[cH:21]2)=[O:32])[CH2:12][CH2:13][CH2:14]1.[C:33](=[O:34])([O-:35])[O-:36].[CH2:39]([CH3:40])[O:41][C:42]([CH2:43][CH2:44][CH2:45][O:46][c:47]1[c:48]([CH2:60][CH2:61][C:62](=[O:63])[O:64][CH2:65][CH3:66])[c:49]([CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][Br:59])[cH:50][cH:51][cH:52]1)=[O:67].[CH3:68][C:69](=[O:70])[CH3:71].[K+:37].[K+:38].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76]>>[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]([c:16]2[cH:17][c:18](-[c:23]3[cH:24][c:25]4[c:26]([cH:30][cH:31]3)[O:27][CH2:28][O:29]4)[cH:19][c:20]([O:22][CH2:58][CH2:57][CH2:56][CH2:55][CH2:54][CH2:53][c:49]3[c:48]([CH2:60][CH2:61][C:62](=[O:63])[O:64][CH2:65][CH3:66])[c:47]([O:46][CH2:45][CH2:44][CH2:43][C:42]([O:41][CH2:39][CH3:40])=[O:67])[cH:52][cH:51][cH:50]3)[cH:21]2)=[O:32])[CH2:12][CH2:13][CH2:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-26b3c4de30074d61a027e3b1b3320b38
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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