Ethylene Glycol → 1-(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
Reaction equation
[C:1]([O:2][CH2:3][CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:23][cH:24][c:25]([Cl:27])[cH:26]3)[S:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:10][CH2:11]1.[K+:33].[OH-:32].[OH2:34].[OH:28][CH2:29][CH2:30][OH:31]>>[NH:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:23][cH:24][c:25]([Cl:27])[cH:26]3)[S:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:10][CH2:11]1Participants
6
Sources & evidence
- ORD record
- ord-9f3dac1f286748779f8a937f38e91925
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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