Water → HCID 178504239, compound

HRID 186811Notes

Reaction equation

HRID 186811 reaction equation
[Br:28][c:29]1[n:30][c:31]2[c:32]([n:33][cH:34]1)[n:35]([CH2:41][O:42][CH2:43][CH2:44][Si:45]([CH3:46])([CH3:47])[CH3:48])[cH:36][c:37]2[C:38]([OH:39])=[O:40].[C:1]([O:2][C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH2:12][CH:13]([C:15]#[N:16])[CH2:14]1)[CH:17]1[CH2:18][CH2:19]1)=[O:20])([CH3:3])([CH3:4])[CH3:5].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[CH:71]([N:72]([CH2:73][CH3:74])[CH:75]([CH3:76])[CH3:77])([CH3:78])[CH3:79].[Cl:80][CH2:81][Cl:82].[F:49][B-:50]([F:51])([F:52])[F:53].[OH2:89].[OH:21][C:22]([C:23]([F:24])([F:25])[F:26])=[O:27].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH2:12][CH:13]([C:15]#[N:16])[CH2:14]1)[CH:17]1[CH2:18][CH2:19]1)(=[O:20])[c:37]1[c:31]2[n:30][c:29]([Br:28])[cH:34][n:33][c:32]2[n:35]([CH2:41][O:42][CH2:43][CH2:44][Si:45]([CH3:46])([CH3:47])[CH3:48])[cH:36]1

Participants

10

Reactant 9

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 584385252-bromo-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acidHCID 77276594tert-butyl N-[2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]carbamate

Product 1

HCID 178504239HCID 178504239, compound

Sources & evidence

ORD record
ord-2a62743fbfb54cc8ad7d650847d50af6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…