Hydrochloric Acid → HCID 67417336, compound

HRID 1130100Notes

Reaction equation

HRID 1130100 reaction equation
[CH2:74]([Cl:75])[Cl:76].[CH3:64][c:65]1[n:66][o:67][c:68]([CH2:70][C:71]([OH:72])=[O:73])[cH:69]1.[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][CH2:50][NH: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:17][C:9]([N:10]([CH3:11])[CH3:12])=[N+:13]([CH3:14])[CH3:15])[c:16]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[O:17]=[C:70]([N:51]1[CH2:50][CH2:49][CH:48]([O:47][c:41]2[cH:40][c:39]3[n:38][cH:37][n:36][c:35]([NH:34][c:30]4[c:29]([F:54])[c:28]([Cl:27])[cH:33][cH:32][cH:31]4)[c:44]3[cH:43][c:42]2[O:45][CH3:46])[CH2:53][CH2:52]1)[c:68]1[o:67][n:66][c:65]([CH3:64])[cH:69]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 41955322-(3-Methyl-1,2-oxazol-5-yl)acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59557982HCID 59557982, compound

Product 1

HCID 67417336HCID 67417336, compound

Sources & evidence

ORD record
ord-8b9829fc08194dadbc7d3b410c0667ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…