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Ethanol → [1-(6'-Benzyloxy-[3,3']bipyridinyl-6-yl)-cyclopropyl]-carbamic acid tert-butyl ester

HRID 1549918
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반응식

HRID 1549918 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:11]2[n:12][cH:13][c:14]([I:17])[cH:15][cH:16]2)[CH2:9][CH2:10]1)=[O:18].[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][c:27]1[n:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[CH3:44][CH2:45][OH:46].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[K+:41].[K+:42].[K+:43].[OH2:53].[P:36]([O-:37])([O-:38])([O-:39])=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:11]2[n:12][cH:13][c:14](-[c:30]3[cH:29][n:28][c:27]([O:26][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:32][cH:31]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1)=[O:18]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 813Potassium Cation3회HCID 962WaterHCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 177502166-Benzyloxypyridine-3-boronic acidHCID 58431130[1-(5-Iodo-pyridin-2-yl)-cyclopropyl]-carbamic acid tert-butyl ester

생성물

1
HCID 67508567[1-(6'-Benzyloxy-[3,3']bipyridinyl-6-yl)-cyclopropyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-ee1499e37885411e9cde7ca69ede6335
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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