Water → HCID 178442159, compound

HRID 285082Notes

Reaction equation

HRID 285082 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:28]2[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]2)[n:6]1[CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH:17]2[CH2:18][CH2:19][CH:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH2:21][CH2:22]2)[cH:13][cH:14]1.[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[N:68]([C:69]([N:70]1[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1)=[O:76])=[N:77][C:78]([N:79]1[CH2:80][CH2:81][CH2:82][CH2:83][CH2:84]1)=[O:85].[OH2:93].[OH:35][CH:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:28]2[cH:29][cH:30][c:31]([O:34][CH:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:32][cH:33]2)[n:6]1[CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH:17]2[CH2:18][CH2:19][CH:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH2:21][CH2:22]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 11776TriphenylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 6429708Ethyl phenyllactate, (+-)-HCID 223874464-(5-methyl-1-{2-[4-(4-pentylcyclohexylmethoxy)phenyl]ethyl}-1H-pyrrol-2-yl)phenol

Product 1

HCID 178442159HCID 178442159, compound

Sources & evidence

ORD record
ord-f52e6d29d3fb4a2fbdc7a4f772c95129
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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