Hydrochloric Acid → HCID 178435295, compound

HRID 1239158Notes

Reaction equation

HRID 1239158 reaction equation
[CH2:34]([CH3:35])[O:36][C:37](=[O:38])[C:39]1([NH2:44])[CH:40]([CH:42]=[CH2:43])[CH2:41]1.[CH:1]1([CH:7]([C:8](=[O:9])[NH:10][CH3:11])[NH:12][C:13](=[O:14])[CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[NH:20][C:21](=[O:22])[CH:23]2[CH:24]3[C:25](=[O:30])[O:26][CH:27]([CH2:28]2)[CH2:29]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[ClH:33].[Li+:32].[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[OH-:31].[OH2:84].[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[CH:1]1([CH:7]([C:8](=[O:9])[NH:10][CH3:11])[NH:12][C:13](=[O:14])[CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[NH:20][C:21](=[O:22])[CH:23]2[CH:24]([C:25](=[O:30])[NH:44][C:39]3([C:37]([O:36][CH2:34][CH3:35])=[O:38])[CH:40]([CH:42]=[CH2:43])[CH2:41]3)[CH2:29][CH:27]([OH:26])[CH2:28]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22082824Ethyl 1-amino-2-vinylcyclopropanecarboxylateHCID 178485797HCID 178485797, compound

Product 1

HCID 178435295HCID 178435295, compound

Sources & evidence

ORD record
ord-094bef048be040859d384cb37a3481a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…