Ethanolamine → 2-(2-Hydroxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

HRID 202015

반응식

HRID 202015 반응식
[NH2:37][CH2:38][CH2:39][OH:40].[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:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[c:12]1([NH:37][CH2:38][CH2:39][OH:40])[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 700EthanolamineHCID 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 98226502-(2-Hydroxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

출처 및 근거

ORD 기록
ord-4c3320b3769d4cb3aac8080c32cfbc07
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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