Chloride → 8-Chloro-1-(4-hydroxy-4-o-tolyl-cyclohexyl)-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-carboxylic acid tert-butyl ester

HRID 200647Notes

Reaction equation

HRID 200647 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([cH:25][cH:26][c:27]([Cl:29])[cH:28]2)-[n:12]2[c:13]([CH:18]3[CH2:19][CH2:20][C:21](=[O:24])[CH2:22][CH2:23]3)[n:14][n:15][c:16]2[CH2:17]1.[Cl-:30].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[c:31]1([CH3:38])[c:32]([Mg+:37])[cH:33][cH:34][cH:35][cH:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([cH:25][cH:26][c:27]([Cl:29])[cH:28]2)-[n:12]2[c:13]([CH:18]3[CH2:19][CH2:20][C:21]([OH:24])([c:32]4[c:31]([CH3:38])[cH:36][cH:35][cH:34][cH:33]4)[CH2:22][CH2:23]3)[n:14][n:15][c:16]2[CH2:17]1

Participants

5

Reactant 4

HCID 312ChlorideHCID 8028TetrahydrofuranHCID 584587428-Chloro-1-(4-oxo-cyclohexyl)-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-carboxylic acid tert-butyl esterHCID 178424302HCID 178424302, compound

Product 1

HCID 584587368-Chloro-1-(4-hydroxy-4-o-tolyl-cyclohexyl)-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-d9cdb444aff14e32955754899c61018d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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