Lauric Acid → HCID 178443289, compound

HRID 2151481Notes

Reaction equation

HRID 2151481 reaction equation
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([OH:13])=[O:14].[CH:78]([N:79]([CH2:80][CH3:81])[CH:82]([CH3:83])[CH3:84])([CH3:85])[CH3:86].[NH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[N:23]1[CH:24]([C:29]([O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[CH2:25][CH:26]([OH:28])[CH2:27]1.[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:14])[NH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[N:23]1[CH:24]([C:29]([O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[CH2:25][CH:26]([OH:28])[CH2:27]1

Participants

6

Reactant 5

HCID 3893Lauric AcidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 686383816-Amino-1-[4-hydroxy-2-[(4-methoxyphenyl)-[(4-methoxyphenyl)methoxy]-phenylmethyl]pyrrolidin-1-yl]hexan-1-one

Product 1

HCID 178443289HCID 178443289, compound

Sources & evidence

ORD record
ord-f09dc8a9504e40a088e32fede3a28662
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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