Citric Acid → 2-[4-(N-acetyl-N-ethoxycarbonylmethylamino)-3-fluorophenyl]-6,8-difluoro-5-hexylamino-4H-1-benzopyran-4-one
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]1[c:12]([F:31])[cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21](=[O:23])[cH:22]2)[c:24]([NH2:30])[c:25]([F:29])[cH:26][c:27]3[F:28])[cH:15][cH:16]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[H-:32].[I:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Na+:33].[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]1[c:12]([F:31])[cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21](=[O:23])[cH:22]2)[c:24]([NH:30][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[c:25]([F:29])[cH:26][c:27]3[F:28])[cH:15][cH:16]1Participants
7
Sources & evidence
- ORD record
- ord-b10cb7fd4ee246319deac56c859d6d85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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