Acetate → HCID 86603024, compound
Reaction equation
[CH3:45][C:46](=[O:47])[O-:48].[CH3:52][OH:53].[ClH:49].[NH2:50][OH:51].[Na+:44].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:38]2)=[N:8][c:9]2[cH:10][c:11](-[c:15]3[n:16]([CH2:28][c:29]4[c:30]([F:37])[cH:31][c:32]([F:36])[cH:33][c:34]4[F:35])[n:17][c:18]4[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][c:23]34)[cH:12][cH:13][cH:14]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[NH2:8][c:9]1[cH:10][c:11](-[c:15]2[n:16]([CH2:28][c:29]3[c:30]([F:37])[cH:31][c:32]([F:36])[cH:33][c:34]3[F:35])[n:17][c:18]3[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][c:23]23)[cH:12][cH:13][cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-0663d6ed884944d7bc278901d6bd2873
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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