Chloride → HCID 178424008, compound

HRID 2131104Notes

Reaction equation

HRID 2131104 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:22][c:23]1[cH:24][cH:25][c:26](-[c:29]2[nH:30][c:31]3[cH:32][c:33]([NH3+:43])[cH:34][c:35]4[c:36]3[c:37]2[cH:38][n:39][nH:40][c:41]4=[O:42])[cH:27][n:28]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[Cl-:21].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:43][c:33]1[cH:32][c:31]2[nH:30][c:29](-[c:26]3[cH:25][cH:24][c:23]([CH3:22])[n:28][cH:27]3)[c:37]3[c:36]2[c:35]([cH:34]1)[c:41](=[O:42])[nH:40][n:39][cH:38]3)[CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 3280780HCID 3280780, compoundHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178424011HCID 178424011, compound

Product 1

HCID 178424008HCID 178424008, compound

Sources & evidence

ORD record
ord-051591d94e874a7aaa9186b62e7d06be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…