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Sodium Ion → 6-[3-[4-(diphenylmethoxy)piperidino]propoxy]-2-triphenylmethyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 2310602
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HRID 2310602 반응식
[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:27][c:28]1[cH:29][cH:30][c:31]2[n:32]([n:33]1)[c:34](=[O:56])[n:35]([C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[n:36]2.[H-:25].[Na+:26].[OH2:57].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][OH:18])[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:28]3[cH:29][cH:30][c:31]4[n:32]([n:33]3)[c:34](=[O:56])[n:35]([C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[n:36]4)[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 229892644-(Diphenylmethoxy)piperidinepropanolHCID 230003076-Chloro-2-triphenylmethyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

생성물 1

HCID 23000309
6-[3-[4-(diphenylmethoxy)piperidino]propoxy]-2-triphenylmethyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

출처 및 근거

ORD 기록
ord-fc6d59c331314821af4ac2ee347c1298
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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