Dichloromethane → Water

HRID 146770Notes

Reaction equation

HRID 146770 reaction equation
[C:1]([CH3:4])([O:5][C:2](=[O:3])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][NH:16][C:17]2([c:47]3[c:48]([Cl:53])[cH:49][cH:50][cH:51][cH:52]3)[C:18](=[O:46])[N:19]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][c:32]4[c:36]([cH:37][cH:38]3)[N:35]([C:39](=[O:40])[N:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[CH2:34][CH2:33]4)[c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][c:25]32)[CH2:12][CH2:13]1)([CH3:6])[CH3:7].[Cl:61][CH2:62][Cl:63].[F:54][C:55]([C:56](=[O:57])[OH:58])([F:59])[F:60]>>[F:54][C:55]([C:56](=[O:57])[OH:58])([F:59])[F:60].[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][NH:16][C:17]2([c:47]3[c:48]([Cl:53])[cH:49][cH:50][cH:51][cH:52]3)[C:18](=[O:46])[N:19]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][c:32]4[c:36]([cH:37][cH:38]3)[N:35]([C:39](=[O:40])[N:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[CH2:34][CH2:33]4)[c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][c:25]32)[CH2:12][CH2:13]1.[OH2:5]

Participants

6

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 23358023HCID 23358023, compound

Product 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 19076547HCID 19076547, compound

Sources & evidence

ORD record
ord-36680b31ddfc4b2ebc3ba6b71f19b7e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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