Hydrochloric Acid → HCID 21085935, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([S:18](=[O:19])(=[O:20])[CH3:21])[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][c:14]21.[CH2:90]([Cl:91])[Cl:92].[CH3:93][OH:94].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[ClH:89].[NH2:65][CH:66]([CH:67]([CH2:68][NH:69][CH2:70][c:71]1[cH:72][c:73]([CH2:77][CH3:78])[cH:74][cH:75][cH:76]1)[OH:79])[CH2:80][c:81]1[cH:82][c:83]([F:88])[cH:84][c:85]([F:87])[cH:86]1.[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1.[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([S:18](=[O:19])(=[O:20])[CH3:21])[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:17])[NH:65][CH:66]([CH:67]([CH2:68][NH:69][CH2:70][c:71]3[cH:72][c:73]([CH2:77][CH3:78])[cH:74][cH:75][cH:76]3)[OH:79])[CH2:80][c:81]3[cH:82][c:83]([F:88])[cH:84][c:85]([F:87])[cH:86]3)[cH:13][c:14]21Participants
10
Reactant 9
HCID 313Hydrochloric Acid
HCID 887Methanol
HCID 6344Dichloromethane
HCID 9886Hexafluorophosphate
HCID 757711-Hydroxybenzotriazole
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 210859284-Butyl-1-(methylsulfonyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
HCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-olProduct 1
Sources & evidence
- ORD record
- ord-a173ecb50f7d45c3970e83fab712d69a
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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