Water → HCID 86620375, compound

HRID 152744Notes

Reaction equation

HRID 152744 reaction equation
[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH2:43]1[CH2:45][CH2:44][CH2:46][O:47]1.[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3](-[n:13]2[n:14][c:15]([C:32]#[N:33])[c:16]([S:25](=[O:26])(=[O:27])[C:28]([F:29])([F:30])[F:31])[c:17]2[N:18]([CH3:19])[CH2:20][CH:21]([CH2:22][OH:23])[OH:24])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[OH2:61]>>[Cl:1][c:2]1[c:3](-[n:13]2[n:14][c:15]([C:32]#[N:33])[c:16]([S:25](=[O:26])(=[O:27])[C:28]([F:29])([F:30])[F:31])[c:17]2[N:18]([CH3:19])[CH2:20][CH:21]2[CH2:22][O:23][C:46](=[O:47])[O:24]2)[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 81531DiisopropylethylamineHCID 16727055HCID 16727055, compound

Product 1

HCID 86620375HCID 86620375, compound

Sources & evidence

ORD record
ord-5f44a4f4691749e98d7b312cf70bffcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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