Ethyl Acetate → HCID 86668505, compound

HRID 1131700Notes

Reaction equation

HRID 1131700 reaction equation
[CH2:42]([O:43][C:44](=[O:45])[CH3:46])[CH3:47].[CH:33]([N:36]([CH2:34][CH3:35])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:17]3[cH:18][n:19][n:20](-[c:26]4[cH:27][c:28]([Cl:32])[cH:29][cH:30][cH:31]4)[c:21]3[C:22]([F:23])([F:24])[F:25])[c:13]2[C:14](=[O:15])[OH:16])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:17]3[cH:18][n:19][n:20](-[c:26]4[cH:27][c:28]([Cl:32])[cH:29][cH:30][cH:31]4)[c:21]3[C:22]([F:23])([F:24])[F:25])[c:13]2[C:14](=[O:15])[NH2:36])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 86668506HCID 86668506, compound

Product 1

HCID 86668505HCID 86668505, compound

Sources & evidence

ORD record
ord-8c229c3822d848f0bceab531e8decb25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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