Hydrochloric Acid → HCID 69555408, compound

HRID 1222373Notes

Reaction equation

HRID 1222373 reaction equation
[CH2:70]([Cl:71])[Cl:72].[CH3:64][O:65][CH2:66][C:67](=[O:68])[OH:69].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:47][CH:48]4[CH2:49][NH:50][CH2:51][CH2:52][CH2:53]4)[c:42]([O:45][CH3:46])[cH:43][c:44]23)[cH:31][cH:32][cH:33]1.[ClH:25].[ClH:26].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:47][CH:48]4[CH2:49][N:50]([C:67]([CH2:66][O:65][CH3:64])=[O:68])[CH2:51][CH2:52][CH2:53]4)[c:42]([O:45][CH3:46])[cH:43][c:44]23)[cH:31][cH:32][cH:33]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 12251Methoxyacetic AcidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178486713HCID 178486713, compound

Product 1

HCID 69555408HCID 69555408, compound

Sources & evidence

ORD record
ord-36604f42ee8f4c2a9b752b5e4ab7d9b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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