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Acetic Acid → 5-Azido-3-methyl-3,5-dihydro-4H-benzo[d][1,2]diazepin-4-one

HRID 138805
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HRID 138805 반응식
[CH3:14][Si:15]([N-:16][Si:17]([CH3:18])([CH3:19])[CH3:20])([CH3:21])[CH3:22].[CH3:1][N:2]1[N:3]=[CH:4][c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[CH2:7][C:8]1=[O:9].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:52][C:53](=[O:54])[OH:55].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:31]([c:32]1[cH:33][c:34]([CH:35]([CH3:36])[CH3:37])[cH:38][c:39]([CH:40]([CH3:41])[CH3:42])[c:43]1[S:44](=[O:45])(=[O:46])[N:49]=[N+:50]=[N-:51])([CH3:47])[CH3:48].[K+:23].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[CH3:1][N:2]1[N:3]=[CH:4][c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[CH:7]([N:49]=[N+:50]=[N-:51])[C:8]1=[O:9]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 813Potassium CationHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 3717072,4,6-Triisopropylbenzenesulfonyl azideHCID 3280088Npc316347
HCID 22243679
3-methyl-3H-benzo[d][1,2]diazepin-4(5H)-one

생성물 1

HCID 222436965-Azido-3-methyl-3,5-dihydro-4H-benzo[d][1,2]diazepin-4-one

출처 및 근거

ORD 기록
ord-335cea9464ec421187c1c97b5760d78e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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