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2-Chloro-5,6,7,8-tetrahydroquinazoline → [7-Methyl-4-(5,6,7,8-tetrahydroquinazolin-2-yl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone

HRID 2154248
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HRID 2154248 반응식
[CH3:12][CH:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18][N:19]1[C:20]([c:21]1[c:22](-[n:27]2[n:28][cH:29][cH:30][n:31]2)[cH:23][cH:24][cH:25][cH:26]1)=[O:32].[CH3:33][c:34]1[c:35]2[cH:36][n:37][c:38]([N:39]3[CH2:40][CH2:41][CH:42]([CH3:43])[N:44]([C:45](=[O:46])[c:47]4[cH:48][cH:49][cH:50][cH:51][c:52]4-[n:53]4[n:54][cH:55][cH:56][n:57]4)[CH2:58][CH2:59]3)[n:60][c:61]2[s:62][cH:63]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)[CH2:8][CH2:7][CH2:6][CH2:5]2>>[c:2]1([N:16]2[CH2:15][CH2:14][CH:13]([CH3:12])[N:19]([C:20]([c:21]3[c:22](-[n:27]4[n:28][cH:29][cH:30][n:31]4)[cH:23][cH:24][cH:25][cH:26]3)=[O:32])[CH2:18][CH2:17]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)[CH2:8][CH2:7][CH2:6][CH2:5]2
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참가 물질

4

반응물 3

HCID 129338762-Chloro-5,6,7,8-tetrahydroquinazolineHCID 57790216(7-Methyl-1,4-diazepan-1-yl)-[2-(triazol-2-yl)phenyl]methanoneHCID 178431874[7-methyl-4-(5-methylthieno[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone

생성물 1

HCID 67997646[7-Methyl-4-(5,6,7,8-tetrahydroquinazolin-2-yl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone

출처 및 근거

ORD 기록
ord-fcd3a18935fb44c6b305cd6fb4f8979f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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