Hydrochloric Acid → HCID 49801373, compound

HRID 189628Notes

Reaction equation

HRID 189628 reaction equation
[B-:49]([F:50])([F:51])([F:52])[F:53].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:1].[NH:30]1[CH2:31][CH2:32][c:33]2[cH:34][cH:35][c:36]([OH:39])[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:71]=[CH:72][N:73]([CH3:74])[CH3:75].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]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][CH2:32][c:33]5[cH:34][cH:35][c:36]([OH:39])[cH:37][c:38]54)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 5245076-HydroxyindolineHCID 581174936-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyrimidine-4-carboxylic acid

Product 1

HCID 49801373HCID 49801373, compound

Sources & evidence

ORD record
ord-bc473c7b9ff34f9aaba97cb02d5936be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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