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Water → 5'-(4-Iodo-3-methyl-phenylcarbamoyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid ethyl ester

HRID 666185
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인쇄 미리보기

반응식

HRID 666185 반응식
[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([CH3:16])[c:12]([I:15])[cH:13][cH:14]2)[cH:17][cH:18]1.[NH:19]1[CH2:20][CH2:21][CH:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:28][CH2:29]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:51]>>[c:2]1([N:19]2[CH2:20][CH2:21][CH:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:28][CH2:29]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([CH3:16])[c:12]([I:15])[cH:13][cH:14]2)[cH:17][cH:18]1
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참가 물질

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반응물 6

HCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 70770Ethyl 4-piperidinecarboxylateHCID 81531DiisopropylethylamineHCID 593181386-chloro-N-(4-iodo-3-methyl-phenyl)-nicotinamide

생성물 1

HCID 59318191
5'-(4-Iodo-3-methyl-phenylcarbamoyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-db6a4d14ec5b4981a3c1000de36116fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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