Acetic Acid → HCID 178528014, compound

HRID 2333074Notes

Reaction equation

HRID 2333074 reaction equation
[CH3:79][C:80](=[O:81])[OH:82].[CH:1]1([NH:7][C:8](=[S:9])[NH: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)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:40]1([NH:41][C:42]([NH:43][CH2:44][CH:45]2[CH2:46][CH2:47][c:48]3[n:49][cH:50][n:51]([C:52]([c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)([c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[c:71]3[CH2:72]2)=[S:73])[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[OH2:83]>>[CH:1]1([NH:7][C:8](=[S:9])[NH: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)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23512754HCID 23512754, compoundHCID 23512872HCID 23512872, compound

Product 1

HCID 178528014HCID 178528014, compound

Sources & evidence

ORD record
ord-e8115eb8bcc24414b1a1b07a9b29fe65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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