1,2-Dichloroethane → 161229-62-5

HRID 288989Notes

Reaction equation

HRID 288989 reaction equation
[C:26]([O-:27])(=[O:28])[OH:29].[CH2:31]([c:32]1[c:33]([CH2:34][OH:35])[c:36]([S:37][c:38]2[cH:39][cH:40][cH:41][c:42]([CH2:43][CH2:44][CH2:45][CH3:46])[c:47]2[CH2:48][OH:49])[cH:50][cH:51][cH:52]1)[CH2:53][CH2:54][CH3:55].[Cl:56][c:57]1[cH:58][cH:59][cH:60][c:61]([C:62]([O:63][OH:64])=[O:65])[cH:66]1.[Cl:67][CH2:68][Cl:69].[Cl:71][CH2:72][CH2:73][Cl:74].[F:1][CH:2]([C:3]1([CH:22]([F:23])[F:24])[O:4][c:5]2[c:6]([cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]2)[N:7]([c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:8]1)[F:25].[Na+:30].[OH2:70]>>[F:1][CH:2]([C:3]1([CH:22]([F:23])[F:24])[O:4][c:5]2[c:6]([cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]2)[N:7]([c:9]2[n+:10]([O-:27])[cH:11][cH:12][cH:13][cH:14]2)[CH2:8]1)[F:25]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 21462566HCID 21462566, compoundHCID 53990823HCID 53990823, compound

Product 1

HCID 9929430161229-62-5

Sources & evidence

ORD record
ord-6bf5331ed2fd46be888c5a70f172066d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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