Acetic Acid → HCID 10123192, compound

HRID 2327402Notes

Reaction equation

HRID 2327402 reaction equation
[C:53]([OH:54])(=[O:55])[CH3:56].[Cl:57][CH2:58][Cl:59].[NH2:1][CH2:2][C:3]1([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][C:17]3=[C:22]([C:23](=[O:24])[O:25][CH3:26])[CH:21]([c:27]4[c:28]([Cl:34])[cH:29][cH:30][cH:31][c:32]4[Cl:33])[C:20]([C:35](=[O:36])[O:37][CH3:38])=[C:19]([CH2:39][CH2:40][c:41]4[s:42][cH:43][cH:44][n:45]4)[NH:18]3)=[O:46])[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[O:47]=[C:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[NH:1]([CH2:2][C:3]1([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][C:17]3=[C:22]([C:23](=[O:24])[O:25][CH3:26])[CH:21]([c:27]4[c:28]([Cl:34])[cH:29][cH:30][cH:31][c:32]4[Cl:33])[C:20]([C:35](=[O:36])[O:37][CH3:38])=[C:19]([CH2:39][CH2:40][c:41]4[s:42][cH:43][cH:44][n:45]4)[NH:18]3)=[O:46])[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6][CH2:7]1)[CH:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 8452CyclopentanoneHCID 10146646HCID 10146646, compound

Product 1

HCID 10123192HCID 10123192, compound

Sources & evidence

ORD record
ord-903f00a61b424b13ad77bf23a9f64191
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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