Acetic Acid → HCID 57819862, compound

HRID 692434Notes

Reaction equation

HRID 692434 reaction equation
[C:50]([OH:51])(=[O:52])[CH3:53].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:42][CH3:43])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[NH:25][CH2:26][c:27]1[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH:39]=[O:40])[cH:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]1)=[O:41])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH2:44]1[CH2:45][O:46][CH2:47][CH2:48][NH:49]1.[CH3:54][S:55](=[O:56])[CH3:57]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:42][CH3:43])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[NH:25][CH2:26][c:27]1[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH2:39][N:49]4[CH2:44][CH2:45][O:46][CH2:47][CH2:48]4)[cH:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]1)=[O:41])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 8083MorpholineHCID 57819888HCID 57819888, compound

Product 1

HCID 57819862HCID 57819862, compound

Sources & evidence

ORD record
ord-d899b6b44c24441180dd663ce56bcb78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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