Water → HCID 68722215, compound

HRID 687149Notes

Reaction equation

HRID 687149 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:1][c:2]1[n:3][cH:4][n:5]([CH2:32][O:33][CH2:34][CH2:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[c:6]1[C:7](=[O:8])[NH:9][CH2:10][c:11]1[c:12]([F:31])[c:13]([O:18][c:19]2[c:20]([N+:28]([O-:29])=[O:30])[cH:21][c:22]([F:27])[c:23]([C:25]#[N:26])[cH:24]2)[c:14]([Cl:17])[cH:15][cH:16]1.[OH2:40]>>[Cl:1][c:2]1[n:3][cH:4][n:5]([CH2:32][O:33][CH2:34][CH2:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[c:6]1[C:7](=[O:8])[NH:9][CH2:10][c:11]1[c:12]([F:31])[c:13]([O:18][c:19]2[c:20]([NH2:28])[cH:21][c:22]([F:27])[c:23]([C:25]#[N:26])[cH:24]2)[c:14]([Cl:17])[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 68480655HCID 68480655, compound

Product 1

HCID 68722215HCID 68722215, compound

Sources & evidence

ORD record
ord-e09438084ddb457f927b789c82bd9b9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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