Ethyl Acetate → HCID 59333332, compound

HRID 154155Notes

Reaction equation

HRID 154155 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([C:23]([F:24])([F:25])[F:26])[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][cH:13][n:14]2-[c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1.[NH2:27][CH2:28][CH2:29][CH2:30][OH:31]>>[c:2]1([NH:27][CH2:28][CH2:29][CH2:30][OH:31])[n:3][c:4]2[cH:5][c:6]([C:23]([F:24])([F:25])[F:26])[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][cH:13][n:14]2-[c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 90863-Amino-1-propanolHCID 312751,4-DioxaneHCID 59333318HCID 59333318, compound

Product 1

HCID 59333332HCID 59333332, compound

Sources & evidence

ORD record
ord-447656b5c0b74c858dea38df52f387f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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