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1,2-Dichloroethane → 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-1-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 943710
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인쇄 미리보기

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HRID 943710 반응식
[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:43]2)[CH:20]=[C:21]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH:34]([c:35]4[n+:36]([O-:41])[cH:37][cH:38][cH:39][cH:40]4)[OH:42])[cH:32][cH:33]2)[CH2:22][CH2:23][NH:24]3)[cH:13][cH:14]1.[CH3:66][C:67](=[O:68])[OH:69].[CH:44](=[O:45])[c:46]1[cH:47][cH:48][n:49][n:50]1[CH3:51].[Cl:70][CH2:71][CH2:72][Cl:73].[Na+:65].[OH2:74]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:43]2)[CH:20]=[C:21]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH:34]([c:35]4[n+:36]([O-:41])[cH:37][cH:38][cH:39][cH:40]4)[OH:42])[cH:32][cH:33]2)[CH2:22][CH2:23][N:24]3[CH2:44][c:46]2[cH:47][cH:48][n:49][n:50]2[CH3:51])[cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium IonHCID 962WaterHCID 2724942TriacetoxyborohydrideHCID 70194141-methyl-1H-pyrazole-5-carbaldehydeHCID 113191807-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

생성물 1

HCID 1784505407-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-1-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-0960dcfaeffd4bf38d4ffc0c345f46de
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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