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Dimethylformamide → 5-(4-(2-methylindoline-1-carbonyl)pyridin-2-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo-[2,3-b]pyridin]-2'(1'H)-one

HRID 156038
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HRID 156038 반응식
[B-:48]([F:49])([F:50])([F:51])[F:52].[CH3:29][CH:30]1[NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[CH2:38]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[cH:13][cH:14][c:15]([NH:19][c:20]3[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][n:28]3)[cH:16][c:17]1[CH2:18]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[cH:13][cH:14][c:15]([NH:19][c:20]3[cH:21][c:22]([C:23](=[O:24])[N:31]4[CH:30]([CH3:29])[CH2:38][c:37]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[cH:26][cH:27][n:28]3)[cH:16][c:17]1[CH2:18]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 233052-MethylindolineHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 581175232-(2'-Oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-ylamino)isonicotinic acid

생성물 1

HCID 49801375
5-(4-(2-methylindoline-1-carbonyl)pyridin-2-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo-[2,3-b]pyridin]-2'(1'H)-one

출처 및 근거

ORD 기록
ord-2824a8d656354a51b48e6c0318e51781
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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