1,4-Dioxane → Tert-butyl 3-[[5-cyano-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]amino]propanoate

HRID 103773

반응식

HRID 103773 반응식
[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42]([CH2:43][CH2:44][NH2:45])=[O:46].[O:1]([CH2:2][CH2:3][CH2:4][O:5][c:12]1[n:13][c:14]([O:31][CH2:32][C:33]([F:34])([F:35])[F:36])[c:15]([C:29]#[N:30])[c:16]([N:18]2[CH2:19][CH2:20][c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[CH2:23][CH2:24]2)[n:17]1)[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[c:12]1([NH:45][CH2:44][CH2:43][C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:46])[n:13][c:14]([O:31][CH2:32][C:33]([F:34])([F:35])[F:36])[c:15]([C:29]#[N:30])[c:16]([N:18]2[CH2:19][CH2:20][c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[CH2:23][CH2:24]2)[n:17]1

참가 물질

4

반응물 3

HCID 312751,4-DioxaneHCID 4192171tert-Butyl 3-aminopropanoateHCID 220038782-(3-Phenoxypropoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

생성물 1

HCID 69945612Tert-butyl 3-[[5-cyano-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]amino]propanoate

출처 및 근거

ORD 기록
ord-16acd8063d4548ebbd579ac831872429
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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