Water → HCID 178423813, compound

HRID 1542806Notes

Reaction equation

HRID 1542806 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:27])[OH:28])[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[c:6]2[n:7][c:8]([CH3:13])[cH:9][c:10]([CH3:12])[c:11]12.[C:29]([Cl:30])(=[O:31])[C:32]([Cl:33])=[O:34].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[NH2:35][c:36]1[cH:37][cH:38][c:39]([C:40]#[N:41])[cH:42][cH:43]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:50].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:28])[NH:35][c:36]2[cH:37][cH:38][c:39]([C:40]#[N:41])[cH:42][cH:43]2)[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[c:6]2[n:7][c:8]([CH3:13])[cH:9][c:10]([CH3:12])[c:11]12

Participants

8

Reactant 7

HCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 133964-AminobenzonitrileHCID 65578Oxalyl chlorideHCID 690588853-[3-Cyano-4,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridin-2-yl]prop-2-enoic acid

Product 1

HCID 178423813HCID 178423813, compound

Sources & evidence

ORD record
ord-e5b463c606ed4a89a471c56964f7b808
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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