Water → HCID 178423810, compound

HRID 669013Notes

Reaction equation

HRID 669013 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.[CH:35]([CH3:36])([CH3:37])[c:38]1[cH:39][cH:40][c:41]([NH2:42])[cH:43][cH:44]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:56].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:27])[NH:42][c:41]2[cH:40][cH:39][c:38]([CH:35]([CH3:36])[CH3:37])[cH:44][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 74644-IsopropylanilineHCID 8028TetrahydrofuranHCID 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 178423810HCID 178423810, compound

Sources & evidence

ORD record
ord-2cf38fd62e1249fd9aa2559c59720b55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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