1-Methylindole-3-carboxylic acid → 1-methyl-N-[1-(3-{[4-(methyloxy)phenyl]amino)-1,2,4-triazin-6-yl)ethyl]-1H-indole-3-carboxamide

HRID 295672

반응식

HRID 295672 반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[n:9][n:10][c:11]([CH:12]([NH:13][C:14]([CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)=[O:21])[CH3:22])[cH:23][n:24]2)[cH:25][cH:26]1.[CH3:45][n:46]1[cH:47][c:48]([C:55](=[O:56])[OH:57])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]12.[NH2:27][CH:28]([CH3:29])[c:30]1[cH:31][n:32][c:33]([NH:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[n:34][n:35]1>>[NH:27]([CH:28]([CH3:29])[c:30]1[cH:31][n:32][c:33]([NH:36][c:37]2[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[n:34][n:35]1)[C:55]([c:48]1[cH:47][n:46]([CH3:45])[c:54]2[c:49]1[cH:50][cH:51][cH:52][cH:53]2)=[O:56]

참가 물질

4

반응물 3

HCID 8540401-Methylindole-3-carboxylic acidHCID 58711939N-[1-(3-{[4-(methyloxy)phenyl]amino}-1,2,4-triazin-6-yl)ethyl]tetrahydro-2H-pyran-4-carboxamideHCID 587119996-(1-aminoethyl)-N-[4-(methyloxy)phenyl]-1,2,4-triazin-3-amine

생성물 1

HCID 587119291-methyl-N-[1-(3-{[4-(methyloxy)phenyl]amino)-1,2,4-triazin-6-yl)ethyl]-1H-indole-3-carboxamide

출처 및 근거

ORD 기록
ord-d2571e473d484026919079049e0a3a12
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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