Ethyl Acetate → HCID 58878196, compound

HRID 204736Notes

Reaction equation

HRID 204736 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][N:42]1[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]1.[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:33]#[N:34])[c:10]([S:31][CH3:32])[n:11][c:12]3[n:13]2[n:14][c:15]([NH:17][c:18]2[cH:19][cH:20][c:21]([O:24][c:25]4[cH:26][cH:27][n:28][cH:29][cH:30]4)[cH:22][cH:23]2)[n:16]3)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:33]#[N:34])[c:10]([N:45]3[CH2:44][CH2:43][N:42]([CH3:41])[CH2:47][CH2:46]3)[n:11][c:12]3[n:13]2[n:14][c:15]([NH:17][c:18]2[cH:19][cH:20][c:21]([O:24][c:25]4[cH:26][cH:27][n:28][cH:29][cH:30]4)[cH:22][cH:23]2)[n:16]3)[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 11785034HCID 11785034, compound

Product 1

HCID 58878196HCID 58878196, compound

Sources & evidence

ORD record
ord-273a63e1bfe046aba0cf2ca672d7b2ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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