Hydrochloric Acid → HCID 57813269, compound

HRID 296988Notes

Reaction equation

HRID 296988 reaction equation
[CH2:33]([CH3:34])[n:35]1[n:36][cH:37][c:38]2[c:39]1[n:40][c:41]([CH2:64][CH3:65])[c:42]([CH2:51][NH:52][C:53](=[O:54])[c:55]1[cH:56][c:57]([C:58]([OH:59])=[O:60])[cH:61][cH:62][cH:63]1)[c:43]2[NH:44][CH:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:90][CH2:91][Cl:92].[ClH:25].[F:1][c:2]1[cH:3][c:4]([CH2:16][NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:5][c:6](-[c:8]2[cH:9][c:10]([CH:14]=[O:15])[cH:11][cH:12][cH:13]2)[cH:7]1.[O:93]1[CH2:94][CH2:95][O:96][CH2:97][CH2:98]1.[P-:66]([F:67])([F:68])([F:69])([F:70])([F:71])[F:72].[n:73]1([O:74][C:75]([N:76]([CH3:77])[CH3:78])=[N+:79]([CH3:80])[CH3:81])[c:82]2[cH:83][cH:84][cH:85][cH:86][c:87]2[n:88][n:89]1>>[F:1][c:2]1[cH:3][c:4]([CH2:16][NH:17][C:18](=[O:24])[c:57]2[cH:56][c:55]([C:53]([NH:52][CH2:51][c:42]3[c:41]([CH2:64][CH3:65])[n:40][c:39]4[n:35]([CH2:33][CH3:34])[n:36][cH:37][c:38]4[c:43]3[NH:44][CH:45]3[CH2:46][CH2:47][O:48][CH2:49][CH2:50]3)=[O:54])[cH:63][cH:62][cH:61]2)[cH:5][c:6](-[c:8]2[cH:9][c:10]([CH:14]=[O:15])[cH:11][cH:12][cH:13]2)[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 578132773-[({[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]benzoic AcidHCID 57813436HCID 57813436, compound

Product 1

HCID 57813269HCID 57813269, compound

Sources & evidence

ORD record
ord-084d22d0547f49c8b13cc46bb9683f40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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