Hydrochloric Acid → HCID 68731137, compound

HRID 207649Notes

Reaction equation

HRID 207649 reaction equation
[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH:1]1([c:4]2[n:5][c:6](-[c:24]3[cH:25][c:26]([O:30][C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29]3)[n:7][c:8]([CH3:23])[c:9]2[C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH:15]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:21][CH2:22]2)[CH2:2][CH2:3]1.[ClH:66].[ClH:67].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:68][CH2:69][CH:70]1[CH2:71][CH:72]([NH:81][C:82]([CH3:83])=[O:84])[CH2:73][N:74]1[CH:75]1[CH2:76][CH2:77][NH:78][CH2:79][CH2:80]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH:1]1([c:4]2[n:5][c:6](-[c:24]3[cH:25][c:26]([O:30][C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29]3)[n:7][c:8]([CH3:23])[c:9]2[C:10](=[O:11])[N:78]2[CH2:77][CH2:76][CH:75]([N:74]3[CH:70]([CH2:69][OH:68])[CH2:71][CH:72]([NH:81][C:82]([CH3:83])=[O:84])[CH2:73]3)[CH2:80][CH2:79]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57580529HCID 57580529, compoundHCID 77214835HCID 77214835, compound

Product 1

HCID 68731137HCID 68731137, compound

Sources & evidence

ORD record
ord-b442a2362a9848b392496c06bb3f3132
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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