Ethyl Acetate → HCID 53311106, compound

HRID 1563999Notes

Reaction equation

[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[CH3:1][O:2][C:3](=[O:4])[CH2:38][NH:5][C:6]([c:7]1[c:8]([Cl:36])[cH:9][c:10]([O:14][c:15]2[c:16]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([CH:33]4[CH2:34][CH2:35]4)[c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]43)[cH:17][n:18][cH:19][cH:20]2)[c:11]([Cl:13])[cH:12]1)=[O:37].[CH3:39][O:40][C:41]([c:42]1[cH:43][cH:44][c:45]([NH2:48])[cH:46][cH:47]1)=[O:49].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62]>>[NH:5]([C:6]([c:7]1[c:8]([Cl:36])[cH:9][c:10]([O:14][c:15]2[c:16]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([CH:33]4[CH2:34][CH2:35]4)[c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]43)[cH:17][n:18][cH:19][cH:20]2)[c:11]([Cl:13])[cH:12]1)=[O:37])[c:45]1[cH:44][cH:43][c:42]([C:41]([O:40][CH3:39])=[O:49])[cH:47][cH:46]1

Participants

Reactant 4

HCID 8857Ethyl Acetate

HCID 8900Heptane

HCID 12082Methyl 4-aminobenzoate

HCID 53312194{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-acetic acid methyl ester

Product 1

HCID 53311106HCID 53311106, compound

Sources & evidence

ORD record: ord-02908aa02b3c4720947c95e8c00d3426
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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