Sodium ion → N-(trans-4-methylcyclohexyl)-4-{2-[(2-mercaptoethyl)amino]ethoxy}-3-methoxycinnamamide
Reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][C:9]([CH:10]=[CH:11][c:12]2[cH:13][c:14]([O:22][CH3:23])[c:15]([O:18][CH2:19][CH2:20][Cl:21])[cH:16][cH:17]2)=[O:24])[CH2:6][CH2:7]1.[H-:30].[Na+:31].[S:25]1[CH2:26][NH:27][CH2:28][CH2:29]1>>[CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][C:9]([CH:10]=[CH:11][c:12]2[cH:13][c:14]([O:22][CH3:23])[c:15]([O:18][CH2:19][CH2:20][NH:27][CH2:28][CH2:29][SH:25])[cH:16][cH:17]2)=[O:24])[CH2:6][CH2:7]1Participants
6
Sources & evidence
- ORD record
- ord-5549a2312bab4c84b20ec495e7c1865f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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