Hydrochloric Acid → HCID 58877841, compound

HRID 177067Notes

Reaction equation

HRID 177067 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26](=[O:27])[OH:28])[n:11][c:12]2[n:13]([c:24]1=[O:25])[CH2:14][CH2:15][O:16][CH2:17][C:18]21[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[CH3:72][C:73]#[N:74].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[ClH:71].[NH2:29][CH2:30][c:31]1[c:32](-[n:38]2[n:39][cH:40][n:41]([CH3:44])[c:42]2=[O:43])[cH:33][c:34]([F:37])[cH:35][cH:36]1.[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26](=[O:27])[NH:29][CH2:30][c:31]2[c:32](-[n:38]3[n:39][cH:40][n:41]([CH3:44])[c:42]3=[O:43])[cH:33][c:34]([F:37])[cH:35][cH:36]2)[n:11][c:12]2[n:13]([c:24]1=[O:25])[CH2:14][CH2:15][O:16][CH2:17][C:18]21[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58877861HCID 58877861, compoundHCID 58877863HCID 58877863, compound

Product 1

HCID 58877841HCID 58877841, compound

Sources & evidence

ORD record
ord-fb9bb76f76d24c02b8d5ce9bc56162b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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