Hydrochloric Acid → HCID 66829143, compound

HRID 2318264Notes

Reaction equation

HRID 2318264 reaction equation
[CH3:46][NH:47][CH3:48].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[ClH:45].[O:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[n:9][cH:10][cH:11][c:12]3[c:13]2[c:14](-[c:36]2[cH:37][c:38]([C:42](=[O:43])[OH:44])[n:39][cH:40][cH:41]2)[n:15][n:16]3[C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:5][CH2:6]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH2:87].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[O:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[n:9][cH:10][cH:11][c:12]3[c:13]2[c:14](-[c:36]2[cH:37][c:38]([C:42](=[O:43])[N:47]([CH3:46])[CH3:48])[n:39][cH:40][cH:41]2)[n:15][n:16]3[C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66825690HCID 66825690, compound

Product 1

HCID 66829143HCID 66829143, compound

Sources & evidence

ORD record
ord-7fd2cc7eac704f94986035f6d92efca1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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