Hydrochloric Acid → 5-(6-(6-fluoroindoline-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

HRID 86220

反応式

HRID 86220 の反応式
[B-:40]([F:41])([F:42])([F:43])[F:44].[ClH:1].[F:30][c:31]1[cH:32][cH:33][c:34]2[c:38]([cH:39]1)[NH:37][CH2:36][CH2:35]2.[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[N:37]4[CH2:36][CH2:35][c:34]5[cH:33][cH:32][c:31]([F:30])[cH:39][c:38]54)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2

参加物

7

反応物 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 2604006-fluoro-2,3-dihydro-1H-indoleHCID 581174936-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carboxylic acid

生成物 1

HCID 498007965-(6-(6-fluoroindoline-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

出典と根拠

ORDレコード
ord-b8b520228a434bd989ca8dce41beed3c
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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