Acetic Acid → HCID 18998700, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][c:17]2[c:18]([cH:28][cH:29]1)[NH:19][c:20]1[c:21]([cH:24][cH:25][cH:26][cH:27]1)[CH2:22][CH2:23]2.[CH3:38][C:39](=[O:40])[OH:41].[Cl:35][CH2:36][Cl:37].[K:30][C:31]#[N:32].[Na+:34].[OH-:33]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][c:17]2[c:18]([cH:28][cH:29]1)[N:19]([CH2:36][C:31]#[N:32])[c:20]1[c:21]([cH:24][cH:25][cH:26][cH:27]1)[CH2:22][CH2:23]2Participants
7
Sources & evidence
- ORD record
- ord-5578c5e1c33f4b268658a79fb0b73bf6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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