Toluene → HCID 57249267, compound

HRID 1131532Notes

Reaction equation

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

Participants

Reactant 3

HCID 1140Toluene

HCID 11776Triphenylphosphine

HCID 57012465HCID 57012465, compound

Product 1

HCID 57249267HCID 57249267, compound

Sources & evidence

ORD record: ord-4db8446a99674fff9062ed0cbbe308ff
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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