Acetic Acid → HCID 69119693, compound

HRID 1240586Notes

Reaction equation

HRID 1240586 reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[CH:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][CH2:27][CH:28]([OH:29])[c:30]3[cH:31][cH:32][c:33]4[c:34]([n:35]3)[CH2:36][O:37][CH:38]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[O:39]4)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:46]>>[CH:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][CH2:27][CH:28]([OH:29])[c:30]3[cH:31][cH:32][c:33]([OH:39])[c:34]([CH2:36][OH:37])[n:35]3)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 69119338HCID 69119338, compound

Product 1

HCID 69119693HCID 69119693, compound

Sources & evidence

ORD record
ord-fdcd145f576a4a108897ec9789668206
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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