Toluene → HCID 10164215, compound

HRID 1127091Notes

Reaction equation

HRID 1127091 reaction equation
[C:85](=[O:86])([O-:87])[O-:88].[CH3:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Cs+:89].[Cs+:90].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18]4[c:19]([Br:31])[cH:20][c:21]([O:29][CH3:30])[cH:22][c:23]4[c:24]([N:26]([CH3:27])[CH3:28])[cH:25]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([c:44]2[cH:45][cH:46][c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[c:53]2-[c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[cH:61][cH:62][c:63]2[P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18]4[c:19]([N:36]5[CH2:35][CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]5)[cH:20][c:21]([O:29][CH3:30])[cH:22][c:23]4[c:24]([N:26]([CH3:27])[CH3:28])[cH:25]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 104967Cesium cation2×HCID 634876Binap, (A+-)-HCID 23533341HCID 23533341, compound

Product 1

HCID 10164215HCID 10164215, compound

Sources & evidence

ORD record
ord-120e3bded72d4f49828ae93748017fca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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