Hydrochloric Acid → HCID 178448585, compound

HRID 314867Notes

Reaction equation

HRID 314867 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH2:6][CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][cH:14]2.[CH2:87]([Cl:88])[Cl:89].[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[ClH:61].[ClH:62].[NH2:63][CH:64]([CH:65]([CH2:66][NH:67][CH2:68][c:69]1[cH:70][c:71]([CH2:75][CH3:76])[cH:72][cH:73][cH:74]1)[OH:77])[CH2:78][c:79]1[cH:80][c:81]([F:86])[cH:82][c:83]([F:85])[cH:84]1.[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH2:6][CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([C:15](=[O:17])[NH:63][CH:64]([CH:65]([CH2:66][NH:67][CH2:68][c:69]1[cH:70][c:71]([CH2:75][CH3:76])[cH:72][cH:73][cH:74]1)[OH:77])[CH2:78][c:79]1[cH:80][c:81]([F:86])[cH:82][c:83]([F:85])[cH:84]1)[cH:13][cH:14]2

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210859294-Butyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 178448585HCID 178448585, compound

Sources & evidence

ORD record
ord-3c4e53dfa55949a99219c47e6b218c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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