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Potassium Cation → 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine

HRID 99040
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HRID 99040 반응식
[CH3:45][OH:46].[CH3:50][OH:51].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:33]([c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1)(=[O:41])=[O:42])[c:9](-[c:11]1[cH:12][n:13]([CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]13)[cH:10]2.[Cl:47][CH2:48][Cl:49].[K+:44].[OH-:43]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[nH:8][c:9](-[c:11]1[cH:12][n:13]([CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]13)[cH:10]2
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반응물 5

HCID 813Potassium CationHCID 887Methanol2회HCID 961HydroxideHCID 6344DichloromethaneHCID 671474644-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

생성물 1

HCID 11705143
4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine

출처 및 근거

ORD 기록
ord-b183032c9cbf47e682771def6478df8a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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