Hydrochloric Acid → HCID 59496621, compound

HRID 2324432Notes

Reaction equation

HRID 2324432 reaction equation
[CH2:55]1[NH:56][CH2:57][CH2:58][c:59]2[c:60]([O:65][CH2:66][c:67]3[cH:68][c:69]([C:70]#[N:71])[cH:72][cH:73][cH:74]3)[cH:61][cH:62][cH:63][c:64]21.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:8][N+:9]([CH3:10])=[C:11]([N:12]([CH3:13])[CH3:14])[O:15][n:16]1[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[ClH:75].[NH2:34][c:35]1[n:36][c:37]2[cH:38][c:39]([C:52](=[O:53])[OH:54])[cH:40][cH:41][c:42]2[c:43]([N:45]2[CH2:46][CH2:47][N:48]([CH3:51])[CH2:49][CH2:50]2)[n:44]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7]>>[NH2:34][c:35]1[n:36][c:37]2[cH:38][c:39]([C:52](=[O:54])[N:56]3[CH2:55][c:64]4[c:59]([c:60]([O:65][CH2:66][c:67]5[cH:68][c:69]([C:70]#[N:71])[cH:72][cH:73][cH:74]5)[cH:61][cH:62][cH:63]4)[CH2:58][CH2:57]3)[cH:40][cH:41][c:42]2[c:43]([N:45]2[CH2:46][CH2:47][N:48]([CH3:51])[CH2:49][CH2:50]2)[n:44]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594966492-Amino-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxylic acidHCID 59496712HCID 59496712, compound

Product 1

HCID 59496621HCID 59496621, compound

Sources & evidence

ORD record
ord-fa2a3620846d4a7f9824134c472ba3eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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