Acetic Acid → HCID 58203918, compound
Reaction equation
[C:42]([BH3-:43])#[N:44].[CH2:33]([CH3:34])[NH:35][CH2:36][CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[Cl:46][CH2:47][Cl:48].[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([CH2:28][CH:29]=[O:30])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2)([F:31])[F:32].[Na+:45]>>[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([CH2:28][CH2:29][N:35]([CH2:33][CH3:34])[CH2:36][CH3:37])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2)([F:31])[F:32]Participants
7
Sources & evidence
- ORD record
- ord-9a47e99d2d874fb8a97490c6bd80b6b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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