Acetic Acid → HCID 10310333, compound

HRID 144099Notes

Reaction equation

HRID 144099 reaction equation
[CH2:69]([Cl:70])[Cl:71].[CH3:1][C:2]([OH:3])=[O:4].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[ClH:5].[ClH:6].[NH2:7][CH:8]([CH:9]([CH2:10][NH:11][CH2:12][c:13]1[cH:14][c:15]([CH2:19][CH3:20])[cH:16][cH:17][cH:18]1)[OH:21])[CH2:22][c:23]1[cH:24][c:25]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:26][cH:27][cH:28]1.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][C:2](=[O:4])[NH:7][CH:8]([CH:9]([CH2:10][NH:11][CH2:12][c:13]1[cH:14][c:15]([CH2:19][CH3:20])[cH:16][cH:17][cH:18]1)[OH:21])[CH2:22][c:23]1[cH:24][c:25]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:26][cH:27][cH:28]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10216130HCID 10216130, compound

Product 1

HCID 10310333HCID 10310333, compound

Sources & evidence

ORD record
ord-dff814292be2489dbe9ba61c00efc8c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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