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Acetone → Iodide Ion

HRID 110596
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HRID 110596 반응식
[CH3:39][I:40].[CH3:41][C:42](=[O:43])[CH3:44].[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[c:10]([CH2:29][N:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[n:11]([CH2:22][c:23]3[n:24][cH:25][cH:26][cH:27][cH:28]3)[c:12]3[cH:13][c:14]([O:18][CH:19]([CH3:20])[CH3:21])[cH:15][cH:16][c:17]23)[cH:35][cH:36][c:37]1[F:38]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[c:10]([CH2:29][N+:30]3([CH3:39])[CH2:31][CH2:32][CH2:33][CH2:34]3)[n:11]([CH2:22][c:23]3[n:24][cH:25][cH:26][cH:27][cH:28]3)[c:12]3[cH:13][c:14]([O:18][CH:19]([CH3:20])[CH3:21])[cH:15][cH:16][c:17]23)[cH:35][cH:36][c:37]1[F:38].[I-:40]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 180AcetoneHCID 6328Methyl iodideHCID 59762441N-(3,4-difluorobenzyl)-6-isopropoxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxamide

생성물 2

HCID 30165Iodide IonHCID 59762425N-[(3,4-difluorophenyl)methyl]-2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide

출처 및 근거

ORD 기록
ord-d9021b26c95d4f7eb86de9a633a7700c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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