Indole-3-Carboxaldehyde → N-benzyl-2-[8,9-difluoro-4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-acetamide

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][N:11]1[c:12]2[c:13]([cH:28][c:29]([F:33])[c:30]([F:32])[cH:31]2)-[n:14]2[c:15](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:16][n:17][c:18]2[CH2:19][C:20]1=[O:21])=[O:34])[CH:35]([CH3:36])[CH3:37].[nH:38]1[cH:39][c:40]([CH:47]=[O:48])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][N:11]1[c:12]2[c:13]([cH:28][c:29]([F:33])[c:30]([F:32])[cH:31]2)-[n:14]2[c:15](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:16][n:17][c:18]2[C:19](=[CH:47][c:40]2[cH:39][nH:38][c:46]3[c:41]2[cH:42][cH:43][cH:44][cH:45]3)[C:20]1=[O:21])=[O:34])[CH:35]([CH3:36])[CH3:37]

참가 물질

반응물 2

HCID 10256Indole-3-Carboxaldehyde

HCID 58957934N-benzyl-2-(8,9-difluoro-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl)-N-isopropyl-acetamide

생성물 1

HCID 136352447N-benzyl-2-[8,9-difluoro-4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-acetamide

출처 및 근거

ORD 기록: ord-cd4e3cc9c6b648dfae07a612cc85722a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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