4-Amino-2-chloropyrimidine-5-carbonitrile → 4-Amino-2-[(2-{[4-(2,4-dichlorophenyl)-5-imidazolylpyrimidin-2-yl]amino}ethyl)-amino]pyrimidine-5-carbonitrile

HRID 186418

반응식

HRID 186418 반응식
[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[c:10](-[n:11]2[cH:12][cH:13][n:14][cH:15]2)[cH:16][n:17][c:18]([CH2:19][CH2:20][NH2:21])[n:22]1.[Cl:23][c:24]1[n:25][cH:26][c:27]([C:31]#[N:32])[c:28]([NH2:30])[n:29]1.[Cl:33][c:34]1[c:35](-[c:41]2[n:42][c:43]([NH:52][CH2:53][CH2:54][NH:55][c:56]3[cH:57][cH:58][c:59]([N+:60]([O-:61])=[O:62])[c:63]([O:64][CH3:65])[n:66]3)[n:44][cH:45][c:46]2-[c:47]2[nH:48][cH:49][cH:50][n:51]2)[cH:36][cH:37][c:38]([Cl:40])[cH:39]1>>[c:24]1([NH:55][CH2:54][CH2:53][NH:52][c:43]2[n:42][c:41](-[c:35]3[c:34]([Cl:33])[cH:39][c:38]([Cl:40])[cH:37][cH:36]3)[c:46](-[c:47]3[n:48][cH:49][cH:50][nH:51]3)[cH:45][n:44]2)[n:25][cH:26][c:27]([C:31]#[N:32])[c:28]([NH2:30])[n:29]1

참가 물질

4

반응물 3

HCID 28011664-Amino-2-chloropyrimidine-5-carbonitrileHCID 22142635[4-(2,4-Dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]ethyl}amineHCID 571748954-(2,4-Dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-ylethylamine

생성물 1

HCID 572215374-Amino-2-[(2-{[4-(2,4-dichlorophenyl)-5-imidazolylpyrimidin-2-yl]amino}ethyl)-amino]pyrimidine-5-carbonitrile

출처 및 근거

ORD 기록
ord-74bdd73ee65743b789134215917a88f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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