Acetic Acid → HCID 178435946, compound

HRID 142230Notes

Reaction equation

HRID 142230 reaction equation
[CH3:79][C:80](=[O:81])[OH:82].[OH2:83].[c:1]1([CH:7]=[CH:8][CH2:9][O:10][CH2:11][CH:12]2[CH2:13][c:14]3[c:15]([n:16]([C:19]([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[cH:17][n:18]3)[CH2:38][CH2:39]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:40]1([CH:41]=[CH:42][CH2:43][O:44][CH2:45][CH:46]2[CH2:47][CH2:48][c:49]3[n:50][cH:51][n:52]([C:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)([c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[c:72]3[CH2:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[c:1]1([CH:7]=[CH:8][CH2:9][O:10][CH2:11][CH:12]2[CH2:13][c:14]3[c:15]([nH:16][cH:17][n:18]3)[CH2:38][CH2:39]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 69945958HCID 69945958, compoundHCID 69948547HCID 69948547, compound

Product 1

HCID 178435946HCID 178435946, compound

Sources & evidence

ORD record
ord-e5f20c56825e488d9e5fe386a161762c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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