Acetonitrile → HCID 21041205, compound

HRID 300438Notes

Reaction equation

HRID 300438 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([NH:28][CH:29]([CH3:30])[CH:31]1[CH2:32][NH:33][CH2:34][CH2:35]1)=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][C:45]#[N:46].[NH2:1][n:2]1[c:3](=[O:21])[n:4]([CH:18]2[CH2:19][CH2:20]2)[c:5]2[c:6]([c:7]1=[O:8])[cH:9][c:10]([F:17])[c:11]([S:13](=[S:14])([OH:15])=[O:16])[n:12]2>>[NH2:1][n:2]1[c:3](=[O:21])[n:4]([CH:18]2[CH2:19][CH2:20]2)[c:5]2[c:6]([c:7]1=[O:8])[cH:9][c:10]([F:17])[c:11]([N:33]1[CH2:32][CH:31]([CH:29]([NH:28][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:36])[CH3:30])[CH2:35][CH2:34]1)[n:12]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 14099015tert-butyl N-[1-(pyrrolidin-3-yl)ethyl]carbamateHCID 219790013-Amino-1-cyclopropyl-6-fluoro-2,4-dioxo-1,2,3,4-tetrahydro-pyrido[2,3-d]pyrimidine-7-thiosulfonic acid

Product 1

HCID 21041205HCID 21041205, compound

Sources & evidence

ORD record
ord-8f3a7ca555d045f3a1c260aa5f9eeffa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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