Hexafluorophosphate → 2-(2-Isopropylphenylamino)-3H-benzimidazole-5-carboxylic acid {3-[(1-methylpiperidine-4-carbonyl)-amino]-1H-indazol-6-yl}-amide

HRID 174982

반응식

HRID 174982 반응식
[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:10][c:11]2[nH:12][c:13]3[c:14]([n:15]2)[cH:16][cH:17][c:18]([C:20](=[O:21])[OH:22])[cH:19]3)[cH:6][cH:7][cH:8][cH:9]1.[NH2:23][c:24]1[cH:25][cH:26][c:27]2[c:28]([NH:33][C:34](=[O:35])[CH:36]3[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]3)[n:29][nH:30][c:31]2[cH:32]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:10][c:11]2[nH:12][c:13]3[c:14]([n:15]2)[cH:16][cH:17][c:18]([C:20](=[O:21])[NH:23][c:24]2[cH:25][cH:26][c:27]4[c:28]([NH:33][C:34](=[O:35])[CH:36]5[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]5)[n:29][nH:30][c:31]4[cH:32]2)[cH:19]3)[cH:6][cH:7][cH:8][cH:9]1

참가 물질

5

반응물 4

HCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 684441332-(2-Isopropylphenylamino)-3H-benzimidazole-5-carboxylic acidHCID 684458371-methylpiperidine-4-carboxylic acid (6-amino-1H-indazol-3-yl)-amide

생성물 1

HCID 595226102-(2-Isopropylphenylamino)-3H-benzimidazole-5-carboxylic acid {3-[(1-methylpiperidine-4-carbonyl)-amino]-1H-indazol-6-yl}-amide

출처 및 근거

ORD 기록
ord-1a61e26576714a65be0fe6b7e241b0dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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