Water → HCID 67001951, compound

HRID 2161296Notes

Reaction equation

HRID 2161296 reaction equation
[B-:33]([F:34])([F:35])([F:36])[F:37].[CH3:64][C:65]#[N:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:1]1([c:4]2[n:5][c:6]3[c:7]([n:8][cH:9]2)[n:10]([CH2:16][O:17][CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[cH:11][c:12]3[C:13](=[O:14])[OH:15])[CH2:2][CH2:3]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:55][c:56]1[cH:57][c:58]([C:59]#[N:60])[cH:61][cH:62][cH:63]1.[OH2:73].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH:1]1([c:4]2[n:5][c:6]3[c:7]([n:8][cH:9]2)[n:10]([CH2:16][O:17][CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[cH:11][c:12]3[C:13](=[O:15])[NH:55][c:56]2[cH:57][c:58]([C:59]#[N:60])[cH:61][cH:62][cH:63]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 167023-AminobenzonitrileHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 578296532-cyclopropyl-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

Product 1

HCID 67001951HCID 67001951, compound

Sources & evidence

ORD record
ord-2b785a01792e49e88e97324734d0eba8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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