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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sodium Ion → 4-[4-[(1H-Benzotriazol-1-Yl)Oxy]-8-Chloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-b]Pyridin-11-Ylidene]-1-(3-Pyridinylacetyl)-Piperidine

HRID 1236938
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HRID 1236938 반응식
[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[C:8](=[C:18]1[CH2:19][CH2:20][N:21]([C:24]([CH2:25][c:26]3[cH:27][n:28][cH:29][cH:30][cH:31]3)=[O:32])[CH2:22][CH2:23]1)[c:9]1[c:10]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:11][CH2:12]2.[H-:43].[Na+:44].[Na+:46].[OH-:45].[OH2:52].[OH:33][n:34]1[n:35][n:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12>>[c:2]1([O:33][n:34]2[n:35][n:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]23)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[C:8](=[C:18]1[CH2:19][CH2:20][N:21]([C:24]([CH2:25][c:26]3[cH:27][n:28][cH:29][cH:30][cH:31]3)=[O:32])[CH2:22][CH2:23]1)[c:9]1[c:10]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:11][CH2:12]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 166653HydrideHCID 226219554-[4,8-Dichloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-b]Pyridin-11-Ylidene]-1-(3-Pyridinylacetyl)-Piperidine

생성물 1

HCID 226219504-[4-[(1H-Benzotriazol-1-Yl)Oxy]-8-Chloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-b]Pyridin-11-Ylidene]-1-(3-Pyridinylacetyl)-Piperidine

출처 및 근거

ORD 기록
ord-b1b0bf0422a845c29dc048ce85d58fc0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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