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Water → tert-butyl N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-N-(3-methyl-5-nitro-2-pyridinyl)carbamate

HRID 1572537
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HRID 1572537 반응식
[C:48](=[O:49])([O-:50])[O-:51].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH2:13][CH:14]2[CH:15]([CH:17]3[CH2:18][CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([Cl:29])[cH:27][n:28]4)[CH2:21][CH2:22]3)[CH2:16]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:30][c:31]1[c:32]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[n:33][cH:34][c:35]([N+:37](=[O:38])[O-:39])[cH:36]1.[Cs+:52].[Cs+:53].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:54]>>[CH2:12]([CH2:13][CH:14]1[CH:15]([CH:17]2[CH2:18][CH2:19][N:20]([c:23]3[n:24][cH:25][c:26]([Cl:29])[cH:27][n:28]3)[CH2:21][CH2:22]2)[CH2:16]1)[N:40]([c:32]1[c:31]([CH3:30])[cH:36][c:35]([N+:37](=[O:38])[O-:39])[cH:34][n:33]1)[C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 67962193Tert-butyl (3-methyl-5-nitropyridin-2-yl)carbamateHCID 872076692-[2-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl 4-methylbenzenesulfonate

생성물 1

HCID 77439288
tert-butyl N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-N-(3-methyl-5-nitro-2-pyridinyl)carbamate

출처 및 근거

ORD 기록
ord-e3abd02259014af597211e4e30b02d63
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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