Acetyl-8-amino-2,3,5,6-tetrahydro-1H-benzo[b][1,5]diazocin-4-one → {2-[2-(1-Acetyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[b][1,5]diazocin-8-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-methyl-phenoxy}-acetonitrile

HRID 140297

반응식

HRID 140297 반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[c:5]2[c:6]([cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[CH2:7][NH:8][C:9](=[O:12])[CH2:10][CH2:11]1.[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:37])[c:23]([NH:25][c:26]2[c:27]([O:28][CH2:29][C:30]#[N:31])[cH:32][cH:33][cH:34][c:35]2[CH3:36])[n:24]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[c:5]2[c:6]([cH:13][c:14]([NH:17][c:19]3[n:20][cH:21][c:22]([Cl:37])[c:23]([NH:25][c:26]4[c:27]([O:28][CH2:29][C:30]#[N:31])[cH:32][cH:33][cH:34][c:35]4[CH3:36])[n:24]3)[cH:15][cH:16]2)[CH2:7][NH:8][C:9](=[O:12])[CH2:10][CH2:11]1

참가 물질

3

반응물 2

HCID 67263959Acetyl-8-amino-2,3,5,6-tetrahydro-1H-benzo[b][1,5]diazocin-4-oneHCID 86633985[2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-methyl-phenoxy]-acetonitrile

생성물 1

HCID 66830602{2-[2-(1-Acetyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[b][1,5]diazocin-8-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-methyl-phenoxy}-acetonitrile

출처 및 근거

ORD 기록
ord-4a67575a8beb411d8f1e7291aa0e6bc4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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