N-Methylisobutylamine → 8-(1H-Pyrazol-4-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid isobutyl-methyl-amide
Reaction equation
[CH3:23][NH:24][CH2:25][CH:26]([CH3:27])[CH3:28].[nH:1]1[n:2][cH:3][c:4](-[c:6]2[cH:7][c:8]3[c:9]([cH:21][cH:22]2)-[c:10]2[n:11][c:12]([C:18](=[O:19])[OH:20])[s:13][c:14]2[CH2:15][CH2:16][O:17]3)[cH:5]1>>[n:1]1[nH:2][cH:3][c:4](-[c:6]2[cH:7][c:8]3[c:9]([cH:21][cH:22]2)-[c:10]2[n:11][c:12]([C:18](=[O:20])[N:24]([CH3:23])[CH2:25][CH:26]([CH3:27])[CH3:28])[s:13][c:14]2[CH2:15][CH2:16][O:17]3)[cH:5]1Participants
3
Sources & evidence
- ORD record
- ord-5cf4010a082d45658e58f6a2b7177509
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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