Diglycolamine → 2-[2-(2-Hydroxyethoxy)ethylamino]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

HRID 89382

반응식

HRID 89382 반응식
[NH2:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][OH:43].[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:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[c:12]1([NH:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][OH:43])[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 13578DiglycolamineHCID 312751,4-DioxaneHCID 220038782-(3-Phenoxypropoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

생성물 1

HCID 220039492-[2-(2-Hydroxyethoxy)ethylamino]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

출처 및 근거

ORD 기록
ord-aa85a4a766cd4082a17a5c61bc504fd2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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