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Toluene → 2-[4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-N-phenyl-acetamide

HRID 141137
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인쇄 미리보기

반응식

HRID 141137 반응식
[CH2:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:1]([CH3:2])([CH3:3])[N:4]([C:5]([CH2:6][N:7]1[c:8]2[c:9]([cH:24][cH:25][cH:26][cH:27]2)-[n:10]2[c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:12][n:13][c:14]2[CH2:15][C:16]1=[O:17])=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[nH:35]1[cH:36][c:37]([CH:44]=[O:45])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]12>>[CH:1]([CH3:2])([CH3:3])[N:4]([C:5]([CH2:6][N:7]1[c:8]2[c:9]([cH:24][cH:25][cH:26][cH:27]2)-[n:10]2[c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:12][n:13][c:14]2[C:15](=[CH:44][c:37]2[cH:36][nH:35][c:43]3[c:38]2[cH:39][cH:40][cH:41][cH:42]3)[C:16]1=[O:17])=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1140TolueneHCID 8082PiperidineHCID 10256Indole-3-CarboxaldehydeHCID 58957944N-isopropyl-2-(5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl)-N-phenyl-acetamide

생성물 1

HCID 1363524502-[4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-N-phenyl-acetamide

출처 및 근거

ORD 기록
ord-ed7ab97cb2534ce3a3b89651207a2351
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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