Acetonitrile → Tert-butyl 4-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxylate

HRID 1119729

반응식

HRID 1119729 반응식
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25]1.[CH3:26][C:27]#[N:28].[O:1]1[CH:2]2[CH:3]1[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][c:11]12>>[OH:1][CH:3]1[CH:2]([N:22]2[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:25][CH2:24][CH2:23]2)[c:11]2[c:6]([cH:7][cH:8][cH:9][cH:10]2)[CH2:5][CH2:4]1

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 921821,2-Epoxy-1,2,3,4-tetrahydronaphthaleneHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylate

생성물 1

HCID 91307468Tert-butyl 4-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxylate

출처 및 근거

ORD 기록
ord-c59529241a144ccab2d0f8f9ecd8f7dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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