Water → HCID 54375431, compound

HRID 1564749Notes

Reaction equation

HRID 1564749 reaction equation
[C:51]([CH3:52])#[N:53].[F:29][C:30]([F:31])([F:32])[C:33]([O:34][IH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[C:45]([F:46])([F:47])[F:48])=[O:49].[NH2:1][C:2](=[O:3])[CH:4]1[CH2:5][CH2:6][CH:7]([N:10]2[C:11](=[O:28])[N:12]([c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[CH2:8][CH2:9]1.[OH2:50]>>[CH:4]1([NH2:53])[CH2:5][CH2:6][CH:7]([N:10]2[C:11](=[O:28])[N:12]([c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 22098845HCID 22098845, compoundHCID 178526050HCID 178526050, compound

Product 1

HCID 54375431HCID 54375431, compound

Sources & evidence

ORD record
ord-4316ed43fa464cc990cedafa0305bfea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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