Ethylene Glycol → 1-(8-Chloro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-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:24][cH:25][c:26]([CH3:28])[cH:27]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10][CH2:11]1.[CH2:29]([OH:30])[CH2:31][OH:32].[K+:34].[OH-:33].[OH2:35]>>[NH:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:24][cH:25][c:26]([CH3:28])[cH:27]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10][CH2:11]1Participants
6
Sources & evidence
- ORD record
- ord-bd72b16e67fe44a78cb415f172ca1664
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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