Acetate → HCID 140526027, compound

HRID 2125170Notes

Reaction equation

HRID 2125170 reaction equation
[CH2:9]([CH3:10])[n:11]1[c:12]2[cH:13][cH:14][c:15]([C:27]([c:28]3[cH:29][cH:30][c:31]([N:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[cH:32][cH:33]3)=[O:40])[cH:16][c:17]2[c:18]2[cH:19][c:20]([C:24]([CH3:25])=[O:26])[cH:21][cH:22][c:23]12.[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[CH3:5][C:6](=[O:7])[O-:8].[Cl-:1].[Na+:4].[OH2:41].[OH:2][NH3+:3]>>[OH:2][N:3]=[C:24]([c:20]1[cH:19][c:18]2[c:17]3[c:12]([n:11]([CH2:9][CH3:10])[c:23]2[cH:22][cH:21]1)[cH:13][cH:14][c:15]([C:27]([c:28]1[cH:29][cH:30][c:31]([N:34]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[cH:32][cH:33]1)=[O:40])[cH:16]3)[CH3:25]

Participants

8

Sources & evidence

ORD record
ord-15bc4a4fd7f34ea98d90e119099c76ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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