3-amino-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid methyl ester → HCID 53317400, compound
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH2:8][O:9][c:10]2[c:11]1[cH:12][cH:13][c:14]([NH2:16])[cH:15]2.[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][c:25]2[c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[F:35])[n:23]1>>[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH2:8][O:9][c:10]2[c:11]1[cH:12][cH:13][c:14]([NH:16][c:18]1[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][c:25]3[c:26]([C:27](=[O:28])[NH:29][CH3:30])[cH:31][cH:32][cH:33][c:34]3[F:35])[n:23]1)[cH:15]2Participants
3
Sources & evidence
- ORD record
- ord-0cd78c67967b4eefb861b7d58988def4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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