Acetic Acid → HCID 178419952, compound

HRID 1560114Notes

Reaction equation

HRID 1560114 reaction equation
[CH3:83][C:84](=[O:85])[OH:86].[OH2:87].[cH:1]1[c:2]([CH2:11][O:12][CH2:13][CH:14]2[CH2:15][c:16]3[c:17]([n:18]([C:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[cH:19][n:20]3)[CH2:40][CH2:41]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[cH:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][c:51]1[CH2:52][O:53][CH2:54][CH:55]1[CH2:56][CH2:57][c:58]2[n:59][cH:60][n:61]([C:62]([c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)([c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[c:75]3[cH:76][cH:77][cH:78][cH:79][cH:80]3)[c:81]2[CH2:82]1>>[cH:1]1[c:2]([CH2:11][O:12][CH2:13][CH:14]2[CH2:15][c:16]3[c:17]([nH:18][cH:19][n:20]3)[CH2:40][CH2:41]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23001222HCID 23001222, compoundHCID 23001269HCID 23001269, compound

Product 1

HCID 178419952HCID 178419952, compound

Sources & evidence

ORD record
ord-298bd44b308e4eca89d072f367dd837b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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