Acetic Acid → HCID 178467659, compound

HRID 1547517Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 6457Triphenylcarbinol

HCID 19036157Ethyl 2-ethoxymethyl-4-(1-hydroxy-1-methylethyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

Product 1

HCID 178467659HCID 178467659, compound

Sources & evidence

ORD record: ord-7f4ae4f0a14044b4a6e0f0c39d50b953
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…