Acetic Acid → HCID 178499823, compound

HRID 2314901Notes

Reaction equation

HRID 2314901 reaction equation
[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([CH:7]([NH:8][C:9]([CH:10]([NH:11][C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][S:32][C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52])[CH2:53][c:54]1[cH:55][cH:56][c:57]([OH:60])[cH:58][cH:59]1)=[O:61])[CH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)=[O:69].[CH3:70][C:71](=[O:72])[OH:73].[OH2:74]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([CH:7]([NH:8][C:9]([CH:10]([NH2:11])[CH2:31][S:32][C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52])[CH2:53][c:54]1[cH:55][cH:56][c:57]([OH:60])[cH:58][cH:59]1)=[O:61])[CH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)=[O:69]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 20324884HCID 20324884, compound

Product 1

HCID 178499823HCID 178499823, compound

Sources & evidence

ORD record
ord-e11338cc3caf47d3b7bc157bc4d2b686
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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