Methanol → HCID 57654590, compound

HRID 296519Notes

Reaction equation

HRID 296519 reaction equation
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[s:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[n:15]([n:16]2)[c:17]([C:20]([F:21])([F:22])[c:23]2[cH:24][cH:25][c:26]4[c:27]([cH:31]2)[CH2:28][CH2:29][O:30]4)[n:18][n:19]3)[cH:9][cH:10]1)[CH3:3].[CH2:84]1[O:85][CH2:86][CH2:87][CH2:88]1.[CH3:77][N:78]1[CH2:79][CH2:80][NH:81][CH2:82][CH2:83]1.[CH3:89][OH:90].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:91][CH2:92][Cl:93].[Na+:33].[OH-:32].[OH2:94].[OH:58][n:59]1[c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[n:66][n:67]1.[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:4](=[O:5])([c:6]1[s:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[n:15]([n:16]2)[c:17]([C:20]([F:21])([F:22])[c:23]2[cH:24][cH:25][c:26]4[c:27]([cH:31]2)[CH2:28][CH2:29][O:30]4)[n:18][n:19]3)[cH:9][cH:10]1)[N:81]1[CH2:80][CH2:79][N:78]([CH3:77])[CH2:83][CH2:82]1

Participants

13

Reactant 12

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 531671-MethylpiperazineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58955253HCID 58955253, compound

Product 1

HCID 57654590HCID 57654590, compound

Sources & evidence

ORD record
ord-c7912d4b876b44c0807540d772d3865c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…