Acetic Acid → HCID 18518303, compound

HRID 2342949Notes

Reaction equation

HRID 2342949 reaction equation
[C:70]([OH:71])(=[O:72])[CH3:73].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8]([cH:25][c:26]1[O:27][CH2:28][CH2:29][CH2:30][NH:31][c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:9][c:10]1[c:11]([cH:20][cH:21][c:22]([F:24])[cH:23]1)[CH:12]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:13]2.[n:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[NH:44][CH2:45][CH2:46][CH2:47][O:48][c:49]1[cH:50][cH:51][c:52]2[c:68]([cH:69]1)[CH2:67][c:66]1[c:61]([cH:62][cH:63][cH:64][cH:65]1)[CH:54]([CH2:55][C:56]([O:57][CH2:58][CH3:59])=[O:60])[CH2:53]2>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8]([cH:25][c:26]1[O:27][CH2:28][CH2:29][CH2:30][NH:31][c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:9][c:10]1[c:11]([cH:20][cH:21][c:22]([F:24])[cH:23]1)[CH:12]([CH2:14][C:15](=[O:16])[OH:17])[CH2:13]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 15434951HCID 15434951, compoundHCID 54110068HCID 54110068, compound

Product 1

HCID 18518303HCID 18518303, compound

Sources & evidence

ORD record
ord-5b2097c4b25c4e13a71aabcd16462d07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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