Hydrochloric Acid → HCID 11386930, compound

HRID 122776

Reaction equation

HRID 122776 reaction equation
[CH2:74]([Cl:75])[Cl:76].[CH3:64][c:65]1[n:66][o:67][c:68]([CH3:73])[c:69]1[C:70](=[O:71])[OH:72].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1.[ClH:25].[ClH:26].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][N:49]([C:70]([c:69]5[c:65]([CH3:64])[n:66][o:67][c:68]5[CH3:73])=[O:71])[CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 756363,5-Dimethylisoxazole-4-carboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10408840N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(piperidin-4-yloxy)quinazolin-4-amine

Product 1

HCID 11386930HCID 11386930, compound

Sources & evidence

ORD record
ord-8ef1b671e3e54adca266689c68da9374
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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