Methanol → HCID 57527175, compound

HRID 666122Notes

Reaction equation

HRID 666122 reaction equation
[CH3:29][OH:30].[CH3:34][C:35]#[N:36].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl:31][CH2:32][Cl:33].[F:1][c:2]1[c:3]([C:8]2([CH:14]([OH:15])[c:16]3[cH:17][c:18]4[c:19]([n:20][c:21]([NH:23][CH:24]([CH3:25])[CH3:26])[s:22]4)[cH:27][cH:28]3)[S:9][CH2:10][CH2:11][CH2:12][S:13]2)[cH:4][cH:5][cH:6][cH:7]1.[OH2:37]>>[F:1][c:2]1[c:3]([C:8]([CH:14]([OH:15])[c:16]2[cH:17][c:18]3[c:19]([n:20][c:21]([NH:23][CH:24]([CH3:25])[CH3:26])[s:22]3)[cH:27][cH:28]2)=[O:30])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 57527217HCID 57527217, compound

Product 1

HCID 57527175HCID 57527175, compound

Sources & evidence

ORD record
ord-78a1e934cff849b6b366b9c45d506b03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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