Water → HCID 59202381, compound

HRID 115138Notes

Reaction equation

HRID 115138 reaction equation
[CH2:32]([CH3:33])[NH2:34].[CH3:1][c:2]1[c:3]([NH:19][C:20]([c:21]2[c:22]([F:30])[cH:23][cH:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]2)=[O:31])[c:4]([CH3:18])[cH:5][c:6]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[F:17])[cH:7]1.[CH3:36][C:37]#[N:38].[OH2:35]>>[CH3:1][c:2]1[c:3]([NH:19][C:20]([c:21]2[c:22]([NH:34][CH2:32][CH3:33])[cH:23][cH:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]2)=[O:31])[c:4]([CH3:18])[cH:5][c:6]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[F:17])[cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 6341EthylamineHCID 6342AcetonitrileHCID 59202379HCID 59202379, compound

Product 1

HCID 59202381HCID 59202381, compound

Sources & evidence

ORD record
ord-3b17582099c4489794be0893748b2cc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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