Ethyl Acetate → HCID 91229934, compound

HRID 177873

Reaction equation

HRID 177873 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][CH2:21][C:22]1([C:37](=[O:38])[OH:39])[CH2:23][CH2:24][N:25]([c:28]2[c:29]3[c:30]([n:31][cH:32][n:33]2)[nH:34][cH:35][cH:36]3)[CH2:26][CH2:27]1.[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH2:1][CH:2]([CH2:3][CH2:4][OH:5])[c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1.[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[NH:1]([CH:2]([CH2:3][CH2:4][OH:5])[c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[C:37]([C:22]1([CH2:21][NH:20][C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:23][CH2:24][N:25]([c:28]2[c:29]3[c:30]([n:31][cH:32][n:33]2)[nH:34][cH:35][cH:36]3)[CH2:26][CH2:27]1)=[O:38]

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 170394353-Amino-3-(4-chlorophenyl)propan-1-olHCID 446042214-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Product 1

HCID 91229934HCID 91229934, compound

Sources & evidence

ORD record
ord-82b95bc013ca4d6383a20c674ce6b893
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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