Acetic Acid → HCID 178458555, compound

HRID 1210704Notes

Reaction equation

HRID 1210704 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH:8]([CH2:9][c:10]1[cH:11][c:12]([F:17])[cH:13][c:14]([F:16])[cH:15]1)[NH:18][C:19]([c:20]1[cH:21][c:22]([C:26](=[O:27])[O:28][CH3:29])[cH:23][cH:24][cH:25]1)=[O:30])[CH:31]1[N:32]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:33][CH:34]([O:36][CH2:37][CH2:38][CH3:39])[CH2:35]1)([CH3:47])[CH3:48].[CH2:88]([O:89][CH:90]1[CH2:91][N:92]([CH:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[CH:106]([CH:107]([OH:108])[CH:109]([NH:110][C:111](=[O:112])[c:113]2[cH:114][cH:115][cH:116][c:117]([C:118]([N:119]([CH2:120][CH2:121][CH3:122])[CH2:123][CH2:124][CH3:125])=[O:126])[cH:127]2)[CH2:128][c:129]2[cH:130][c:131]([F:132])[cH:133][c:134]([F:135])[cH:136]2)[CH2:137]1)[CH:138]=[CH2:139].[CH3:140][C:141](=[O:142])[OH:143].[CH3:144][OH:145].[F:49][c:50]1[cH:51][c:52]([CH2:57][CH:58]([CH:59]([CH:60]2[NH:61][CH2:62][CH:63]([O:65][CH2:66][CH2:67][CH3:68])[CH2:64]2)[OH:69])[NH:70][C:71]([c:72]2[cH:73][c:74]([C:75](=[O:76])[N:77]([CH2:78][CH2:79][CH3:80])[CH2:81][CH2:82][CH3:83])[cH:84][cH:85][cH:86]2)=[O:87])[cH:53][c:54]([F:56])[cH:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH:8]([CH2:9][c:10]1[cH:11][c:12]([F:17])[cH:13][c:14]([F:16])[cH:15]1)[NH:18][C:19]([c:20]1[cH:21][c:22]([C:26](=[O:27])[O:28][CH3:29])[cH:23][c:24]([CH3:88])[cH:25]1)=[O:30])[CH:31]1[N:32]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:33][CH:34]([O:36][CH2:37][CH2:38][CH3:39])[CH2:35]1)([CH3:47])[CH3:48].[F:49][c:50]1[cH:51][c:52]([CH2:57][CH:58]([CH:59]([CH:60]2[NH:61][CH2:62][CH:63]([O:65][CH2:66][CH2:67][CH3:68])[CH2:64]2)[OH:69])[NH:70][C:71]([c:72]2[cH:73][c:74]([C:75](=[O:76])[N:77]([CH2:78][CH2:79][CH3:80])[CH2:81][CH2:82][CH3:83])[cH:84][cH:85][cH:86]2)=[O:87])[cH:53][c:54]([F:56])[cH:55]1

Participants

7

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 178458540HCID 178458540, compoundHCID 178458556HCID 178458556, compoundHCID 178458792HCID 178458792, compound

Product 2

HCID 178458555HCID 178458555, compoundHCID 178458792HCID 178458792, compound

Sources & evidence

ORD record
ord-2c738489e31e40b697b2fbe6023c6231
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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