Toluene → 8-Chloro-4-(3-{[3-(morpholin-4-ylcarbonyl)benzyl]oxy}phenyl)-3-phenylcinnoline

HRID 1210939Notes

Reaction equation

HRID 1210939 reaction equation
[CH2:5]1[CH2:6][O:7][CH2:8][CH2:9][NH:10]1.[CH3:11][O:12][C:13]([c:14]1[cH:15][c:16]([CH2:20][O:21][c:22]2[cH:23][c:24](-[c:28]3[c:29](-[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[n:30][n:31][c:32]4[c:33]([Cl:38])[cH:34][cH:35][cH:36][c:37]34)[cH:25][cH:26][cH:27]2)[cH:17][cH:18][cH:19]1)=[O:45].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH2:5]1[CH2:6][O:7][CH2:8][CH2:9][N:10]1[C:13](=[O:12])[c:14]1[cH:15][c:16]([CH2:20][O:21][c:22]2[cH:23][c:24](-[c:28]3[c:29](-[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[n:30][n:31][c:32]4[c:33]([Cl:38])[cH:34][cH:35][cH:36][c:37]34)[cH:25][cH:26][cH:27]2)[cH:17][cH:18][cH:19]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8083MorpholineHCID 16682925TrimethylaluminumHCID 685788903-[3-(8-Chloro-3-phenyl-cinnolin-4-yl)-phenoxymethyl]-benzoic acid methyl ester

Product 1

HCID 118548288-Chloro-4-(3-{[3-(morpholin-4-ylcarbonyl)benzyl]oxy}phenyl)-3-phenylcinnoline

Sources & evidence

ORD record
ord-44fd12b746a64ee3bcd04a8696a57875
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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