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

반응식

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

참가 물질

반응물 2

HCID 10256Indole-3-Carboxaldehyde

HCID 58957933HCID 58957933, 화합물

생성물 1

HCID 1363524462-[1-(3-hydroxy-phenyl)-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-N-phenyl-acetamide

출처 및 근거

ORD 기록: ord-37c857295620452e9e8b033e7938d027
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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