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Chloride → Methyl 3-[4-[(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate

HRID 197085
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HRID 197085 반응식
[C:39]([CH3:40])(=[S:41])[OH:42].[CH2:43]([O:44][CH:45]([O:46][CH2:47][C:48]([CH3:49])([CH3:50])[CH3:51])[N:52]([CH3:53])[CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58].[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][n:7]1[n:8][n:9][c:10]([CH:12]=[C:13]2[CH2:14][N:15]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:16][CH2:17][CH:18]2[OH:19])[cH:11]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl-:60].[Na+:59]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][n:7]1[n:8][n:9][c:10]([CH:12]=[C:13]2[CH2:14][N:15]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:16][CH2:17][CH:18]2[S:41][C:39]([CH3:40])=[O:42])[cH:11]1
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HCID 312ChlorideHCID 923Sodium IonHCID 1140TolueneHCID 786231,1-Bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamineHCID 68765183Methyl 3-[4-[(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoateHCID 178418634HCID 178418634, 화합물

생성물 1

HCID 90854809
Methyl 3-[4-[(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate

출처 및 근거

ORD 기록
ord-b69621064ab241d4a7357499e8c93d71
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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