Dichloromethane → [1-[[2-[[2-[(5-amino-5-methylhex-2-enoyl)-methylamino]-3-naphthalen-2-ylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]-2-methylpropan-2-yl] acetate
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][C:5]([CH2:6][NH:7][C:8]([CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[N:17]([CH3:18])[C:19]([CH:20]([CH2:21][c:22]1[cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[cH:30][cH:31]1)[N:32]([CH3:33])[C:34]([CH:35]=[CH:36][CH2:37][C:38]([CH3:39])([CH3:40])[NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])=[O:49])=[O:50])=[O:51])([CH3:52])[CH3:53].[Cl:61][CH2:62][Cl:63].[OH:54][C:55]([C:56]([F:57])([F:58])[F:59])=[O:60]>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]([CH2:6][NH:7][C:8]([CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[N:17]([CH3:18])[C:19]([CH:20]([CH2:21][c:22]1[cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[cH:30][cH:31]1)[N:32]([CH3:33])[C:34]([CH:35]=[CH:36][CH2:37][C:38]([CH3:39])([CH3:40])[NH2:41])=[O:49])=[O:50])=[O:51])([CH3:52])[CH3:53]Participants
4
Sources & evidence
- ORD record
- ord-4aa29c4dc5874b889eb54ddd1ed2f051
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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