Hydrochloric Acid → HCID 178502173, compound

HRID 685581Notes

Reaction equation

HRID 685581 reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[CH:13]([C:22](=[O:23])[OH:24])[CH2:14][CH2:15][C:16]12[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2.[CH:88]([N:89]([CH2:90][CH3:91])[CH:92]([CH3:93])[CH3:94])([CH3:95])[CH3:96].[Cl:97][CH2:98][Cl:99].[ClH:25].[ClH:26].[NH2:27][CH2:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34](-[c:37]2[cH:38][cH:39][c:40](-[c:43]3[n:44][c:45]([CH:48]4[N:49]([C:53](=[O:54])[CH:55]([CH:56]([CH3:57])[CH3:58])[NH:59][C:60]([O:61][CH3:62])=[O:63])[CH2:50][CH2:51][CH2:52]4)[nH:46][cH:47]3)[cH:41][cH:42]2)[cH:35][cH:36]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][O:2][C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[CH:13]([C:22](=[O:23])[NH:27][CH2:28][C:29](=[O:30])[c:31]2[cH:32][cH:33][c:34](-[c:37]3[cH:38][cH:39][c:40](-[c:43]4[n:44][c:45]([CH:48]5[N:49]([C:53](=[O:54])[CH:55]([CH:56]([CH3:57])[CH3:58])[NH:59][C:60]([O:61][CH3:62])=[O:63])[CH2:50][CH2:51][CH2:52]5)[nH:46][cH:47]4)[cH:41][cH:42]3)[cH:35][cH:36]2)[CH2:14][CH2:15][C:16]12[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 76757093HCID 76757093, compoundHCID 178502170HCID 178502170, compound

Product 1

HCID 178502173HCID 178502173, compound

Sources & evidence

ORD record
ord-73783c4448e34bc685d709eb965b083e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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