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3,4-Dimethylphenol → 8-hydroxy-8-(7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-one

HRID 157183
Notes
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Reaction equation

HRID 157183 reaction equation
[CH3:12][c:13]1[c:14]([CH3:15])[cH:16][c:17]([OH:18])[cH:19][cH:20]1.[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([CH2:28][N:29]2[C:30](=[O:43])[C:31](=[O:42])[c:32]3[cH:33][c:34]4[c:35]([cH:36][c:37]32)[O:38][CH2:39][CH2:40][O:41]4)[o:27]1)([F:44])[F:45].[O:1]1[c:2]2[c:3]([cH:7][c:8]([OH:11])[cH:9][cH:10]2)[O:4][CH2:5][CH2:6]1.[c:46]1([CH:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[N:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[C:61](=[O:62])[C:63]2=[O:64])[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[O:1]1[c:2]2[c:3]([cH:7][c:8]([OH:11])[c:9]([C:31]3([OH:42])[C:30](=[O:43])[N:29]([CH2:28][c:26]4[cH:25][cH:24][c:23]([C:22]([F:21])([F:44])[F:45])[o:27]4)[c:37]4[c:32]3[cH:33][c:34]3[c:35]([cH:36]4)[O:38][CH2:39][CH2:40][O:41]3)[cH:10]2)[O:4][CH2:5][CH2:6]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 72493,4-DimethylphenolHCID 19692771-(diphenylmethyl)-1H-indole-2,3-dioneHCID 91152732,3-Dihydro-1,4-benzodioxin-6-olHCID 685985666-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-6H-[1,4]dioxino[2,3-f]indole-7,8-dione

Product 1

HCID 68601804
8-hydroxy-8-(7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-one

Sources & evidence

ORD record
ord-208a7e969b3847078da860ccda1833c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes