Water → HCID 86613294, compound

HRID 2311999Notes

Reaction equation

HRID 2311999 reaction equation
[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:13][c:14]3[cH:15][cH:16][c:17]4[c:22]([cH:23]3)[CH2:21][CH:20]([C:24](=[O:25])[OH:26])[CH2:19][CH2:18]4)[cH:12]2)[CH2:2][CH2:3]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[NH2:60][c:61]1[cH:62][c:63]([CH2:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[cH:73][c:74]([C:76]([F:77])([F:78])[F:79])[cH:75]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:85].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:13][c:14]3[cH:15][cH:16][c:17]4[c:22]([cH:23]3)[CH2:21][CH:20]([C:24](=[O:25])[NH:60][c:61]3[cH:62][c:63]([CH2:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[cH:73][c:74]([C:76]([F:77])([F:78])[F:79])[cH:75]3)[CH2:19][CH2:18]4)[cH:12]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 589022317-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidHCID 59735029tert-butyl N-{[3-amino-5-(trifluoromethyl)phenyl]methyl}carbamate

Product 1

HCID 86613294HCID 86613294, compound

Sources & evidence

ORD record
ord-26dc2b4c364540b081f0c3fc6b740973
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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