Hydrochloric Acid → HCID 67051798, compound

HRID 1127708Notes

Reaction equation

HRID 1127708 reaction equation
[CH3:100][OH:101].[CH3:94][CH2:95][O:96][C:97](=[O:98])[CH3:99].[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[ClH:20].[F:21][c:22]1[c:23]([NH:32][c:33]2[c:34]([F:40])[cH:35][c:36]([I:39])[cH:37][cH:38]2)[c:24]([C:25]([OH:26])=[O:27])[cH:28][cH:29][c:30]1[F:31].[O:83]1[CH2:84][CH2:85][O:86][CH2:87][CH2:88]1.[O:89]=[CH:90][N:91]([CH3:92])[CH3:93].[OH:1][C:2]1([CH:13]([CH:14]([CH3:15])[CH3:16])[N+:17](=[O:18])[O-:19])[CH2:3][N:4]([C:6]([O:8][C:7]([CH3:9])([CH3:10])[CH3:11])=[O:12])[CH2:5]1.[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][P+:50]([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)([N:56]2[CH2:57][CH2:58][CH2:59][CH2:60]2)[N:61]2[CH2:62][CH2:63][CH2:64][CH2:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[OH:1][C:2]1([CH:13]([CH:14]([CH3:15])[CH3:16])[N+:17](=[O:18])[O-:19])[CH2:3][N:4]([C:6](=[O:8])[c:24]2[c:23]([NH:32][c:33]3[c:34]([F:40])[cH:35][c:36]([I:39])[cH:37][cH:38]3)[c:22]([F:21])[c:30]([F:31])[cH:29][cH:28]2)[CH2:5]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 220256632-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acidHCID 67051626HCID 67051626, compound

Product 1

HCID 67051798HCID 67051798, compound

Sources & evidence

ORD record
ord-13ee9b88cb7c4edbbeaa10dade1a17a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…