Hydrochloric Acid → HCID 18456529, compound

HRID 295139Notes

Reaction equation

HRID 295139 reaction equation
[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][C:10](=[O:11])[OH:12])[CH2:13][c:14]1[c:15]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:16][cH:17][c:18]([F:20])[cH:19]1)[CH3:29].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[Cl:88][CH2:89][Cl:90].[ClH:30].[F:31][C:32]([c:33]1[n:34][cH:35][c:36]2[c:37]([n:38]1)[CH2:39][NH:40][CH2:41][CH2:42]2)([F:43])[F:44].[OH:54][n:55]1[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1.[P-:64]([F:65])([F:66])([F:67])([F:68])([F:69])[F:70].[n:71]1([O:72][C:73]([N:74]([CH3:75])[CH3:76])=[N+:77]([CH3:78])[CH3:79])[c:80]2[n:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][C:10](=[O:11])[N:40]1[CH2:39][c:37]2[c:36]([cH:35][n:34][c:33]([C:32]([F:31])([F:43])[F:44])[n:38]2)[CH2:42][CH2:41]1)[CH2:13][c:14]1[c:15]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:16][cH:17][c:18]([F:20])[cH:19]1)[CH3:29]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 184565172-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidineHCID 178453562HCID 178453562, compound

Product 1

HCID 18456529HCID 18456529, compound

Sources & evidence

ORD record
ord-712286ee8646491f905effebbe61c531
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…