Acetic Acid → HCID 178440622, compound

HRID 120864Notes

Reaction equation

HRID 120864 reaction equation
[C:54]([OH:55])(=[O:56])[CH3:57].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25](-[c:30]4[n:31][n:32][n:33][n:34]4[C:35]([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)([c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[c:7](=[O:16])[n:8][c:9]2[n:10]1[CH:11]([CH3:15])[C:12](=[O:14])[NH:13]2.[OH2:58]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25](-[c:30]4[n:31][n:32][n:33][nH:34]4)[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[c:7](=[O:16])[n:8][c:9]2[n:10]1[CH:11]([CH3:15])[C:12](=[O:14])[NH:13]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 18978989HCID 18978989, compound

Product 1

HCID 178440622HCID 178440622, compound

Sources & evidence

ORD record
ord-18c77da76f2247f9b488a399636bef50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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