Acetic Acid → HCID 21048993, compound
Reaction equation
[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:43][N:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][n:50]1)[CH3:51].[CH3:52][C:53]([OH:54])=[O:55].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:23]3[c:24]([F:30])[cH:25][cH:26][c:27]([F:29])[cH:28]3)[CH2:12][CH2:13][CH:14]([CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[NH2:22])[CH2:15][CH2:16]2)[cH:6][cH:7]1.[Cl:56][CH2:57][Cl:58].[ClH:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:23]3[c:24]([F:30])[cH:25][cH:26][c:27]([F:29])[cH:28]3)[CH2:12][CH2:13][CH:14]([CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[NH:22][C:53]([CH3:52])=[O:54])[CH2:15][CH2:16]2)[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-581c12760eea4b6198bc98172b7feca4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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