Water → HCID 69020505, compound

HRID 281227Notes

Reaction equation

HRID 281227 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:27])[cH:8][c:9]([C:25]#[N:26])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[O:28]=[C:29]1[N:30]([Br:35])[C:31](=[O:32])[CH2:33][CH2:34]1.[OH2:36]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:27])[c:8]([Br:35])[c:9]([C:25]#[N:26])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 67184N-bromobutanimideHCID 69022513HCID 69022513, compound

Product 1

HCID 69020505HCID 69020505, compound

Sources & evidence

ORD record
ord-61b93d6299034e48a0f5082344ebd308
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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