Acetate → HCID 67337338, compound

HRID 2331644Notes

Reaction equation

HRID 2331644 reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:37][cH:38]1.[CH3:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[CH3:85][C:86]([CH3:87])([O-:88])[CH3:89].[Cl:92][CH2:93][Cl:94].[NH2:1][CH2:2][c:3]1[c:4]([Cl:21])[cH:5][cH:6][c:7]2[c:13]1[CH2:12][CH2:11][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:9][CH2:8]2.[Na+:90].[O-:100][C:101]([CH3:102])=[O:103].[O-:96][C:97]([CH3:98])=[O:99].[OH2:91].[Pd+2:95].[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>>[NH:1]([CH2:2][c:3]1[c:4]([Cl:21])[cH:5][cH:6][c:7]2[c:13]1[CH2:12][CH2:11][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:9][CH2:8]2)[c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:37][cH:38]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 2843132HCID 2843132, compoundHCID 45749132-Methylpropan-2-olateHCID 59822294HCID 59822294, compound

Product 1

HCID 67337338HCID 67337338, compound

Sources & evidence

ORD record
ord-cf525e0e766743039c583ebaac4dbba7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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