Ethanolamine → 2-({[5-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3,4-thiadiazol-2-yl]methyl}amino)ethanol
Reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][OH:43].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[n:27][n:28][c:29]([CH:31]=[O:32])[s:30]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[NH2:33][CH2:34][CH2:35][OH:36].[Na+:41]>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[n:27][n:28][c:29]([CH2:31][NH:33][CH2:34][CH2:35][OH:36])[s:30]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-6fe29a13345f4d6689534d437b0a4609
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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