1,2-Dichloroethane → HCID 24738199, compound

HRID 173924Notes

Reaction equation

HRID 173924 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[C:41](=[O:42])([OH:43])[O-:44].[Cl:46][CH2:47][CH2:48][Cl:49].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][c:14]([C:18]#[N:19])[cH:15][c:16]3[CH3:17])[cH:6][cH:7]1.[Na+:45].[O:20]=[CH:21][CH2:22][O:23][CH:24]1[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][c:14]([C:18]#[N:19])[cH:15][c:16]3[CH3:17])[cH:6][cH:7]1)[CH2:21][CH2:22][O:23][CH:24]1[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 579170752-(4-Aminophenyl)-7-methyl-1,3-benzoxazole-5-carbonitrileHCID 59234000tert-Butyl 4-(2-oxoethoxy)piperidine-1-carboxylate

Product 1

HCID 24738199HCID 24738199, compound

Sources & evidence

ORD record
ord-aa0bf94eb72d4179a1f2489290a90211
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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