Hydrochloric Acid → HCID 49801671, compound

HRID 1119733Notes

Reaction equation

HRID 1119733 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[ClH:1].[NH:30]1[CH2:31][CH:32]([CH2:39][OH:40])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]21.[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:63]=[CH:64][N:65]([CH3:66])[CH3:67].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]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:29])[N:30]4[CH2:31][CH:32]([CH2:39][OH:40])[c:33]5[cH:34][cH:35][cH:36][cH:37][c:38]54)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 22392033(Indolin-3-yl)methanolHCID 581174936-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carboxylic acid

Product 1

HCID 49801671HCID 49801671, compound

Sources & evidence

ORD record
ord-91bbdaa84cb5480c949379183dd28e54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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