Water → HCID 59774882, compound

HRID 1132277Notes

Reaction equation

HRID 1132277 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH2:12][CH3:13])([C:14]([F:15])([F:16])[F:17])[c:18]2[n:19][n:20][n:21]([CH2:23][c:24]3[cH:25][cH:26][c:27]4[c:28]([C:36](=[CH2:37])[O:38][CH2:39][CH3:40])[cH:29][c:30]([C:34]#[N:35])[n:31][c:32]4[cH:33]3)[cH:22]2)[cH:41][cH:42]1.[O:43]=[C:44]1[N:45]([Br:50])[C:46](=[O:47])[CH2:48][CH2:49]1.[OH2:56]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH2:12][CH3:13])([C:14]([F:15])([F:16])[F:17])[c:18]2[n:19][n:20][n:21]([CH2:23][c:24]3[cH:25][cH:26][c:27]4[c:28]([C:36](=[O:37])[CH2:38][Br:50])[cH:29][c:30]([C:34]#[N:35])[n:31][c:32]4[cH:33]3)[cH:22]2)[cH:41][cH:42]1

Participants

5

Reactant 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 67184N-bromobutanimideHCID 59774879HCID 59774879, compound

Product 1

HCID 59774882HCID 59774882, compound

Sources & evidence

ORD record
ord-9c1e96a7cec24c208fb64e453eac983f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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