Ethyl Acetate → HCID 67165940, compound
Reaction equation
[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26][C:27]([C:28](=[O:29])[OH:30])=[O:31].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:12])[cH:10][cH:11]1.[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[C:28]([C:27]([NH:26][CH:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:31])=[O:29]Participants
7
Sources & evidence
- ORD record
- ord-89b34cbff2724e8a8622dddbca89fbc3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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