Toluene → 2,3,4,5-Tetrahydro-4-methyl-5-thioxopyrido[3,2-f][1,4]oxazepin-2-propanenitrile

HRID 671756

반응식

HRID 671756 반응식
[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([P:24]2(=[S:25])[S:26][P:28](=[S:29])([c:30]3[cH:31][cH:32][c:33]([O:34][CH3:35])[cH:36][cH:37]3)[S:27]2)[cH:38][cH:39]1.[CH3:1][N:2]1[CH2:3][CH:4]([CH2:14][CH2:15][C:16]#[N:17])[O:5][c:6]2[c:7]([cH:10][cH:11][cH:12][n:13]2)[C:8]1=[O:9].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][N:2]1[CH2:3][CH:4]([CH2:14][CH2:15][C:16]#[N:17])[O:5][c:6]2[c:7]([cH:10][cH:11][cH:12][n:13]2)[C:8]1=[S:27]

참가 물질

4

반응물 3

HCID 1140TolueneHCID 87949Lawesson's reagentHCID 137264592,3,4,5-Tetrahydro-4-methyl-5-oxopyrido[3,2-f][1,4]-oxazepine-2-propanenitrile

생성물 1

HCID 137264602,3,4,5-Tetrahydro-4-methyl-5-thioxopyrido[3,2-f][1,4]oxazepin-2-propanenitrile

출처 및 근거

ORD 기록
ord-1ad6d978848a4179b50879e4a5bde228
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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