Ethylene Glycol → 1-(10,11-Dihydro-3-methoxy-8-methylthio-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:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([S:23][CH3:24])[cH:21][cH:22]3)[CH2:10][CH2:11]1.[K+:36].[OH-:35].[OH2:37].[OH:31][CH2:32][CH2:33][OH:34]>>[NH:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][c:14]3[c:15]([cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[S:16][c:17]3[c:18]2[cH:19][c:20]([S:23][CH3:24])[cH:21][cH:22]3)[CH2:10][CH2:11]1Participants
6
Sources & evidence
- ORD record
- ord-2eceef537fae4397b67aa6128954b04f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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