Acetonitrile → ethyl 10-(1,3-dioxoisoindol-2-yl)-2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoate
Reaction equation
[Br:22][CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N:37]1[C:38](=[O:47])[c:39]2[c:40]([cH:43][cH:44][cH:45][cH:46]2)[C:41]1=[O:42].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][C:56]#[N:57].[NH2:1][CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9]>>[NH:1]([CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9])[CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N:37]1[C:38](=[O:47])[c:39]2[c:40]([cH:43][cH:44][cH:45][cH:46]2)[C:41]1=[O:42]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-fb564126208f4ddf90260636a5444d0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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