Water → HCID 25017033, compound

HRID 112536Notes

Reaction equation

HRID 112536 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[c:8]2[cH:9][cH:10]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][NH:42][CH:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH:48]1[NH:49][CH3:50].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][c:27]3[c:28](=[O:34])[nH:29][cH:30][cH:31][c:32]3[o:33]2)[cH:23][cH:24]1.[Cl:58][CH2:59][Cl:60].[Cs+:39].[Cs+:40].[Cu:62][I:63].[OH2:61]>>[c:2]1(-[n:29]2[c:28](=[O:34])[c:27]3[cH:26][c:25](-[c:22]4[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]4)[o:33][c:32]3[cH:31][cH:30]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[c:8]2[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 962WaterHCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 576255415-Bromo-1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazoleHCID 580155582-(4-chlorophenyl)-5H-furo[3,2-c]pyridine-4-one

Product 1

HCID 25017033HCID 25017033, compound

Sources & evidence

ORD record
ord-8027b775e6a1484694d1397a12ab05c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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