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Methanol → 9-(3,4-Dimethoxy-benzyl)-2,3-dimethoxy-6,7,8,9-tetrahydro-5-thia-8-aza-benzocycloheptene

HRID 1128390
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인쇄 미리보기

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HRID 1128390 반응식
[BH4-:33].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][S:17][c:18]2[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:36][C:37]#[N:38].[CH3:42][OH:43].[Cl:39][CH2:40][Cl:41].[Na+:34].[OH2:35].[P:28]([Cl:29])([Cl:30])([Cl:31])=[O:32]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]2[NH:14][CH2:15][CH2:16][S:17][c:18]3[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][c:23]32)[cH:6][cH:7][c:8]1[O:9][CH3:10]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 24813Phosphorus oxychlorideHCID 28123BorohydrideHCID 184425752-(3,4-Dimethoxy-phenyl)-N-[2-(3,4-dimethoxy-phenylsulfanyl)-ethyl]-acetamide

출처 및 근거

ORD 기록
ord-5b4402ddd9c54745987b55ed54a84c64
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 184425899-(3,4-Dimethoxy-benzyl)-2,3-dimethoxy-6,7,8,9-tetrahydro-5-thia-8-aza-benzocycloheptene