Acetic Acid → HCID 178426843, compound

HRID 193427Notes

Reaction equation

HRID 193427 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:89][C:90](=[O:91])[OH:92].[CH3:97][CH2:98][O:99][C:100](=[O:101])[CH3:102].[CH:50]1([CH2:55][C:56](=[O:57])[OH:58])[CH2:51][CH2:52][CH2:53][CH2:54]1.[Cl:93][CH2:94][Cl:95].[Li+:88].[OH-:87].[OH2:86].[OH2:96].[OH:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH3:42])[cH:12][c:13]2[C:14]#[C:15][c:16]2[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]3[N:26]([C:31]([CH:32]([CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[NH2:40])=[O:41])[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:20][cH:21]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][P+:68]([N:69]([CH3:70])[CH3:71])([N:72]([CH3:73])[CH3:74])[N:75]([CH3:76])[CH3:77])[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[OH:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH3:42])[cH:12][c:13]2[C:14]#[C:15][c:16]2[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]3[N:26]([C:31]([CH:32]([CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[NH:40][C:56]([CH2:55][CH:50]4[CH2:51][CH2:52][CH2:53][CH2:54]4)=[O:57])=[O:41])[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:20][cH:21]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 961HydroxideHCID 962Water2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 71606Cyclopentylacetic acidHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 178426844HCID 178426844, compound

Product 1

HCID 178426843HCID 178426843, compound

Sources & evidence

ORD record
ord-ddc128a06d5a4c678f16e6e4e1edb374
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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