Toluene → HCID 86618233, compound

HRID 1565135Notes

Reaction equation

HRID 1565135 reaction equation
[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:27][C:28]1([CH3:51])[O:29][c:30]2[c:31]([cH:33][cH:34][cH:35][c:36]2[CH:37]=[N:38][c:39]2[c:40]3[cH:41][n:42][n:43]([CH3:50])[c:44](=[O:49])[c:45]3[cH:46][cH:47][cH:48]2)[CH2:32]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:14]([c:15]1[c:16]2[c:22]([cH:23][cH:24][cH:25]1)[CH2:21][C:18]([CH3:19])([CH3:20])[O:17]2)=[O:26].[F:52][C:53]([CH:54]1[CH2:55][O:56]1)([F:57])[F:58].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[cH:8][n:9][n:10]([CH3:11])[c:12]2=[O:13]>>[CH3:27][C:28]1([CH3:51])[O:29][c:30]2[c:31]([cH:33][cH:34][cH:35][c:36]2[CH:37]([NH:38][c:39]2[c:40]3[cH:41][n:42][n:43]([CH3:50])[c:44](=[O:49])[c:45]3[cH:46][cH:47][cH:48]2)[C:54]2([C:53]([F:52])([F:57])[F:58])[CH2:55][O:56]2)[CH2:32]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 5207692-(Trifluoromethyl)oxiraneHCID 27954712,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehydeHCID 179850455-Amino-2-methylphthalazin-1-oneHCID 67136357HCID 67136357, compound

Product 1

HCID 86618233HCID 86618233, compound

Sources & evidence

ORD record
ord-33fc7b2e0a4248498c3cb6f4c4388f6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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