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Ammonia → Tert-butyl 4-[N-(5-acetamido-6-cyanoindan-1-yl)amino]-2-fluorobenzoate

HRID 1550890
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인쇄 미리보기

반응식

HRID 1550890 반응식
[C-:30]#[N:31].[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][c:13]1[Br:14])[CH:10]([NH:15][c:16]1[cH:17][c:18]([F:29])[c:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28]1)[CH2:9][CH2:8]2.[CH2:39]([O:40][CH2:41][CH3:42])[CH3:43].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Cu:51].[NH3:32]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][c:13]1[C:30]#[N:31])[CH:10]([NH:15][c:16]1[cH:17][c:18]([F:29])[c:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28]1)[CH2:9][CH2:8]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 222AmmoniaHCID 3283Diethyl EtherHCID 5975CyanideHCID 8058HexaneHCID 13387N-methyl-2-pyrrolidoneHCID 23978CopperHCID 58915010tert-butyl 4-[N-(5-acetamido-6-bromoindan-1-yl)amino]-2-fluorobenzoate

생성물 1

HCID 67363698
Tert-butyl 4-[N-(5-acetamido-6-cyanoindan-1-yl)amino]-2-fluorobenzoate

출처 및 근거

ORD 기록
ord-7451a3dab3204714ad942707a6d1db36
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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