Acetic Acid → N-[3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]aniline
Reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[Na+:36].[OH-:35].[S:1]([c:2]1[cH:3][cH:4][c:5]([CH3:6])[cH:7][cH:8]1)(=[O:9])(=[O:10])[n:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18]1[n:19]2[c:20]([CH:23]2[CH2:24][CH:25]([NH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:26][CH2:27]2)[n:21][n:22]1>>[nH:11]1[cH:12][cH:13][c:14]2[c:15]1[n:16][cH:17][c:18]1[n:19]2[c:20]([CH:23]2[CH2:24][CH:25]([NH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:26][CH2:27]2)[n:21][n:22]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-fc61bad60e664173bcded6ed378a005f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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