Hydrochloric Acid → HCID 59415860, compound

HRID 202634Notes

Reaction equation

HRID 202634 reaction equation
[CH3:1][O:2][CH2:3][CH:4]([CH2:5][O:6][CH3:7])[n:8]1[cH:9][c:10]([C:40](=[O:41])[OH:42])[c:11](=[O:39])[c:12]2[cH:13][c:14](-[c:18]3[cH:19][n:20][c:21]([NH:33][C:34](=[O:35])[NH:36][CH2:37][CH3:38])[cH:22][c:23]3-[c:24]3[s:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[n:28]3)[cH:15][cH:16][c:17]12.[CH:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH2:72][CH3:73])([CH3:74])[CH3:75].[ClH:76].[NH2:77][CH:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[OH2:89].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH3:1][O:2][CH2:3][CH:4]([CH2:5][O:6][CH3:7])[n:8]1[cH:9][c:10]([C:40](=[O:41])[NH:77][CH:78]2[CH2:79][CH2:80][O:81][CH2:82][CH2:83]2)[c:11](=[O:39])[c:12]2[cH:13][c:14](-[c:18]3[cH:19][n:20][c:21]([NH:33][C:34](=[O:35])[NH:36][CH2:37][CH3:38])[cH:22][c:23]3-[c:24]3[s:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[n:28]3)[cH:15][cH:16][c:17]12

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4192234-AminotetrahydropyranHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59415803HCID 59415803, compound

Product 1

HCID 59415860HCID 59415860, compound

Sources & evidence

ORD record
ord-74f0ed3e80aa46259d1c29054aeb3de2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…