Acetate → [1-(2-Chloro-pyridin-4-yl)-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-methanone

HRID 1230334Notes

Reaction equation

HRID 1230334 reaction equation
[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[Cl:33][c:34]1[n:35][cH:36][cH:37][c:38]([B:40]([OH:41])[OH:42])[cH:39]1.[Cl:49][CH2:50][Cl:51].[Cu+2:56].[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]1[nH:14][c:15]3[cH:16][cH:17][c:18]([C:22](=[O:23])[N:24]4[CH2:25][CH2:26][N:27]([CH:30]([CH3:31])[CH3:32])[CH2:28][CH2:29]4)[cH:19][c:20]3[cH:21]1)[CH2:9][CH2:10]2.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]1[n:14](-[c:38]3[cH:37][cH:36][n:35][c:34]([Cl:33])[cH:39]3)[c:15]3[cH:16][cH:17][c:18]([C:22](=[O:23])[N:24]4[CH2:25][CH2:26][N:27]([CH:30]([CH3:31])[CH3:32])[CH2:28][CH2:29]4)[cH:19][c:20]3[cH:21]1)[CH2:9][CH2:10]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 51515952-Chloropyridine-4-boronic acidHCID 68684152(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

Product 1

HCID 86615816[1-(2-Chloro-pyridin-4-yl)-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-methanone

Sources & evidence

ORD record
ord-10d737123b89479dbf56d6f78140540f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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