Hydrochloric Acid → 6-((4-(4-cyano-5-(dicyanomethylene)-1-hexyl-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)phenyl)(2-ethylhexyl)amino)hexanoic acid
Reaction equation
[C:1](#[N:2])[C:3]1=[C:4]([c:20]2[cH:21][cH:22][c:23]([N:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH3:35])[CH2:36][CH:37]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH3:43])[cH:24][cH:25]2)[C:5](=[O:19])[N:6]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[C:7]1=[C:8]([C:9]#[N:10])[C:11]#[N:12].[Cl:57][CH2:58][Cl:59].[ClH:49].[Na+:50].[Na+:51].[O-:52][S:53](=[O:54])(=[O:55])[O-:56].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:60]>>[C:1](#[N:2])[C:3]1=[C:4]([c:20]2[cH:21][cH:22][c:23]([N:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[OH:34])[CH2:36][CH:37]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH3:43])[cH:24][cH:25]2)[C:5](=[O:19])[N:6]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[C:7]1=[C:8]([C:9]#[N:10])[C:11]#[N:12]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-409a289a95c947d8958959a48aaac2c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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