Ethyl Acetate → HCID 178507722, compound

HRID 2136482Notes

Reaction equation

HRID 2136482 reaction equation
[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][C:36]1=[O:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]([S:16]([CH3:17])(=[O:18])=[O:19])[n:14][cH:15]3)[n:20][c:21]2[OH:22])[cH:4][cH:5][cH:6][cH:7]1.[NH2:23][CH:24]1[CH2:25][CH2:26][CH:27]([NH2:30])[CH2:28][CH2:29]1>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]([NH:30][CH:27]4[CH2:26][CH2:25][CH:24]([NH2:23])[CH2:29][CH2:28]4)[n:14][cH:15]3)[n:20][c:21]2[OH:22])[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 183741,4-DiaminocyclohexaneHCID 178504840HCID 178504840, compound

Product 1

HCID 178507722HCID 178507722, compound

Sources & evidence

ORD record
ord-60bd130a8cf44ebaa8283e2fffae5eb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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