Ethylene Glycol → 1-(2-Bromo-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine
반응식
[C:2]([O:3][CH2:4][CH3:5])(=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([CH:13]2[CH2:14][c:15]3[c:16]([cH:24][cH:25][c:26]([Br:28])[cH:27]3)[S:17][c:18]3[c:19]2[cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12]1.[ClH:1].[K+:34].[OH-:33].[OH2:35].[OH:29][CH2:30][CH2:31][OH:32]>>[NH:7]1[CH2:8][CH2:9][N:10]([CH:13]2[CH2:14][c:15]3[c:16]([cH:24][cH:25][c:26]([Br:28])[cH:27]3)[S:17][c:18]3[c:19]2[cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-86f209f873a84829a4bcb8a00b7b92ea
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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