Hydrochloric Acid → HCID 178494459, compound

HRID 1128516Notes

Reaction equation

HRID 1128516 reaction equation
[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([c:16]2[n:17][c:18]3[c:19]([nH:20]2)[c:21]2[cH:22][c:23]4[c:24]([cH:25][c:26]2[cH:27][cH:28]3)-[c:29]2[cH:30][cH:31][c:32]([B:37]3[O:38][C:39]([CH3:44])([CH3:45])[C:40]([CH3:42])([CH3:43])[O:41]3)[cH:33][c:34]2[CH2:35][O:36]4)[N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]1.[CH3:47][O:48][CH:49]([CH:50]([C:51]([OH:52])=[O:53])[NH:54][C:55](=[O:56])[O:57][CH3:58])[CH3:59].[CH3:96][OH:97].[CH:84]([N:85]([CH2:86][CH3:87])[CH:88]([CH3:89])[CH3:90])([CH3:91])[CH3:92].[Cl:93][CH2:94][Cl:95].[ClH:46].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[n:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([c:16]2[n:17][c:18]3[c:19]([nH:20]2)[c:21]2[cH:22][c:23]4[c:24]([cH:25][c:26]2[cH:27][cH:28]3)-[c:29]2[cH:30][cH:31][c:32]([B:37]3[O:38][C:39]([CH3:44])([CH3:45])[C:40]([CH3:42])([CH3:43])[O:41]3)[cH:33][c:34]2[CH2:35][O:36]4)[N:7]([C:9](=[O:10])[CH:50]([CH:49]([O:48][CH3:47])[CH3:59])[NH:54][C:55](=[O:56])[O:57][CH3:58])[CH2:8]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 723209323-Methoxy-2-(methoxycarbonylamino)butanoic acidHCID 178494460HCID 178494460, compound

Product 1

HCID 178494459HCID 178494459, compound

Sources & evidence

ORD record
ord-2baeace984cf4ddeb104280113cfac08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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