Hydrochloric Acid → HCID 21086993, compound

HRID 1129939Notes

Reaction equation

HRID 1129939 reaction equation
[CH2:76]([Cl:77])[Cl:78].[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[o:7][cH:8][c:9]([C:11](=[O:12])[OH:13])[n:10]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:47].[ClH:48].[NH2:49][CH:50]([CH:51]([CH2:52][NH:53][CH2:54][c:55]1[cH:56][c:57]([CH2:61][CH3:62])[cH:58][cH:59][cH:60]1)[OH:63])[CH2:64][c:65]1[cH:66][c:67]([O:71][CH2:72][CH2:73][CH2:74][CH3:75])[cH:68][cH:69][cH:70]1.[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[o:7][cH:8][c:9]([C:11](=[O:13])[NH:49][CH:50]([CH:51]([CH2:52][NH:53][CH2:54][c:55]2[cH:56][c:57]([CH2:61][CH3:62])[cH:58][cH:59][cH:60]2)[OH:63])[CH2:64][c:65]2[cH:66][c:67]([O:71][CH2:72][CH2:73][CH2:74][CH3:75])[cH:68][cH:69][cH:70]2)[n:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10237230HCID 10237230, compoundHCID 11401481HCID 11401481, compound

Product 1

HCID 21086993HCID 21086993, compound

Sources & evidence

ORD record
ord-d2f1408b25a74d08822d938b0c6e3cf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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