Acetonitrile → 4-[3-(3-Methylsulfanylphenyl)-1-spiro[5.5]undec-3-yl-ureidomethyl]benzoic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][CH:12]2[CH2:13][CH2:14][C:15]3([CH2:16][CH2:17]2)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:8][cH:9]1)=[O:23].[CH3:24][S:25][c:26]1[cH:27][c:28]([N:32]=[C:33]=[O:34])[cH:29][cH:30][cH:31]1.[CH3:35][C:36]#[N:37]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([CH:12]2[CH2:13][CH2:14][C:15]3([CH2:16][CH2:17]2)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[C:33]([NH:32][c:28]2[cH:27][c:26]([S:25][CH3:24])[cH:31][cH:30][cH:29]2)=[O:34])[cH:8][cH:9]1)=[O:23]Participants
4
Sources & evidence
- ORD record
- ord-521ae845fa4c4e968fcbc1384efe446a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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