Ethyl Acetate → HCID 178442487, compound
Reaction equation
[CH3:1][C:2]1([CH3:41])[O:3][CH2:4][CH:5]([CH2:7][CH2:8][NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH:37]=[CH2:38])([CH3:39])[CH3:40])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[O:6]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47]>>[CH3:1][C:2]1([CH3:41])[O:3][CH2:4][CH:5]([CH2:7][CH2:8][NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH2:37][CH3:38])([CH3:39])[CH3:40])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[O:6]1Participants
3
Sources & evidence
- ORD record
- ord-a08c36454d6549068d1334ef3f9f65b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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