Hydrochloric Acid → HCID 178446388, compound

HRID 1210349Notes

Reaction equation

HRID 1210349 reaction equation
[CH:89]([N:90]([CH2:91][CH3:92])[CH:93]([CH3:94])[CH3:95])([CH3:96])[CH3:97].[Cl:98][CH2:99][Cl:100].[ClH:64].[NH2:53][C:54]1([C:59](=[O:60])[O:61][CH2:62][CH3:63])[CH:55]([CH:57]=[CH2:58])[CH2:56]1.[P-:65]([F:66])([F:67])([F:68])([F:69])([F:70])[F:71].[c:1]1(-[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:2][cH:3][c:4]([C:7]2([O:45][CH3:46])[CH2:8][CH:9]([C:42](=[O:43])[OH:44])[N:10]([C:12]([CH:13]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]3[c:20]([N+:25](=[O:26])[O-:27])[cH:21][cH:22][cH:23][cH:24]3)[CH2:28][CH2:29][CH2:30][CH:31]=[CH2:32])[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:11]2)[cH:5][cH:6]1.[n:72]1([O:73][C:74]([N:75]([CH3:76])[CH3:77])=[N+:78]([CH3:79])[CH3:80])[c:81]2[n:82][cH:83][cH:84][cH:85][c:86]2[n:87][n:88]1>>[c:1]1(-[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:2][cH:3][c:4]([C:7]2([O:45][CH3:46])[CH2:8][CH:9]([C:42](=[O:43])[NH:53][C:54]3([C:59](=[O:60])[O:61][CH2:62][CH3:63])[CH:55]([CH:57]=[CH2:58])[CH2:56]3)[N:10]([C:12]([CH:13]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]3[c:20]([N+:25](=[O:26])[O-:27])[cH:21][cH:22][cH:23][cH:24]3)[CH2:28][CH2:29][CH2:30][CH:31]=[CH2:32])[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:11]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22082824Ethyl 1-amino-2-vinylcyclopropanecarboxylateHCID 178446390HCID 178446390, compound

Product 1

HCID 178446388HCID 178446388, compound

Sources & evidence

ORD record
ord-f6d07262e5a246cf9ae5ec9a98d48cec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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