Water → HCID 57471284, compound

HRID 684172Notes

Reaction equation

HRID 684172 reaction equation
[Br:22][CH2:23][CH:24]([CH2:25][CH2:26][Br:27])[F:28].[CH2:40]([O:41][C:42](=[O:43])[CH3:44])[CH3:45].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:37][C:38]#[N:39].[NH2:1][CH:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([OH:21])[cH:9][c:10]2[CH:11]1[CH2:12][c:13]1[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]1.[OH2:36]>>[N:1]1([CH:2]2[CH2:3][CH2:4][c:5]3[cH:6][cH:7][c:8]([OH:21])[cH:9][c:10]3[CH:11]2[CH2:12][c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:23][CH:24]([F:28])[CH2:25][CH2:26]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 57471196HCID 57471196, compoundHCID 57471283112464-88-7

Product 1

HCID 57471284HCID 57471284, compound

Sources & evidence

ORD record
ord-df59b8609786407e9ec551856a73b587
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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