Hydrochloric Acid → HCID 178502171, compound
Reaction equation
[C:55]([CH3:56])([CH3:57])([CH3:58])[O:59][C:60](=[O:61])[N:62]1[CH:63]([C:71]([OH:72])=[O:73])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[CH2:70]1.[CH3:112][CH2:113][O:114][C:115]([CH3:116])=[O:117].[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][cH:18][c:19](-[c:21]3[cH:22][cH:23][c:24](-[c:27]4[cH:28][cH:29][c:30]([C:33]([CH2:34][NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[cH:31][cH:32]4)[cH:25][cH:26]3)[n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:44].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:98][CH2:99][Cl:100].[ClH:45].[O:101]1[CH2:102][CH2:103][O:104][CH2:105][CH2:106]1.[O:107]=[CH:108][N:109]([CH3:110])[CH3:111].[P-:74]([F:75])([F:76])([F:77])([F:78])([F:79])[F:80].[n:81]1([O:82][C:83]([N:84]([CH3:85])[CH3:86])=[N+:87]([CH3:88])[CH3:89])[c:90]2[n:91][cH:92][cH:93][cH:94][c:95]2[n:96][n:97]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][cH:18][c:19](-[c:21]3[cH:22][cH:23][c:24](-[c:27]4[cH:28][cH:29][c:30]([C:33]([CH2:34][NH:35][C:36](=[O:37])[CH:63]5[N:62]([C:60]([O:59][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:61])[CH2:70][c:69]6[c:64]5[cH:65][cH:66][cH:67][cH:68]6)=[O:43])[cH:31][cH:32]4)[cH:25][cH:26]3)[n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:44]Participants
11
Reactant 10
HCID 313Hydrochloric Acid
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 312751,4-Dioxane
HCID 81531Diisopropylethylamine
HCID 27559672-((tert-butoxy)carbonyl)-2,3-dihydro-1H-isoindole-1-carboxylic acid
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 178502175HCID 178502175, compoundProduct 1
Sources & evidence
- ORD record
- ord-dea73b29e4d941d4a6ecb2eeed6fda62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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