Ethyl Acetate → HCID 57385785, compound
Reaction equation
[CH3:38][N:39]([CH3:40])[C:41](=[O:42])[CH3:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:32]1([C:35](=[O:36])[Cl:37])[CH2:33][CH2:34]1.[NH2:1][c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([CH3:26])([CH3:27])[C:28]#[N:29])[cH:22][cH:23][cH:24]4)=[O:30])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:31]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([CH3:26])([CH3:27])[C:28]#[N:29])[cH:22][cH:23][cH:24]4)=[O:30])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:31]1)[C:35]([CH:32]1[CH2:33][CH2:34]1)=[O:36]Participants
5
Sources & evidence
- ORD record
- ord-8a9cd8469ac948e6b666cde1683cbeea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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