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1,2-Dichloroethane → 4-Cyano-N-{2-[7-(1-methyl-1H-indol-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-ethyl}-benzenesulfonamide

HRID 113568
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인쇄 미리보기

반응식

HRID 113568 반응식
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][N:15]2[CH2:16][CH:17]3[CH2:18][NH:19][CH2:20][CH:21]([CH2:22]2)[O:23]3)[cH:7][cH:8]1.[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:50](=[O:51])([O-:52])[O-:53].[CH3:24][n:25]1[cH:26][c:27]([CH:34]=[O:35])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[Cl:56][CH2:57][CH2:58][Cl:59].[Na+:49].[Na+:54].[Na+:55]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][N:15]2[CH2:16][CH:17]3[CH2:18][N:19]([CH2:34][c:27]4[cH:26][n:25]([CH3:24])[c:33]5[c:28]4[cH:29][cH:30][cH:31][cH:32]5)[CH2:20][CH:21]([CH2:22]2)[O:23]3)[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 111,2-DichloroethaneHCID 923Sodium Ion3회HCID 19660Carbonate IonHCID 878941-Methyl-1H-indole-3-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 685189574-cyano-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]-benzenesulfonamide

생성물 1

HCID 11562043
4-Cyano-N-{2-[7-(1-methyl-1H-indol-3-ylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-ethyl}-benzenesulfonamide

출처 및 근거

ORD 기록
ord-5cde6c6057f54d2499503dfaf10382e2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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