Water → 6-Bromo-2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-indole-1-carboxylic acid tert-butyl ester

HRID 102829Notes

Reaction equation

HRID 102829 reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[n:23]1[c:24]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:25][c:26]2[cH:27][cH:28][c:29]([Br:32])[cH:30][c:31]12.[C:42](=[O:43])([O-:44])[O-:45].[Cl:48][CH2:49][Cl:50].[Cs+:46].[Cs+:47].[I:1][c:2]1[c:3]([O:14][CH3:15])[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1.[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:57]>>[c:2]1(-[c:24]2[n:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[c:31]3[c:26]([cH:25]2)[cH:27][cH:28][c:29]([Br:32])[cH:30]3)[c:3]([O:14][CH3:15])[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 230924634-Iodo-3-methoxy-6-pyridin-4-yl-pyridazineHCID 56973297Tert-butyl 6-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-indole-1-carboxylate

Product 1

HCID 686373616-Bromo-2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-indole-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-2c9272a5cff8414cbcdb5f5d63ae1dd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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