Water → HCID 178423814, compound

HRID 2132138Notes

Reaction equation

HRID 2132138 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].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[NH2:35][c:36]1[cH:37][c:38]([Cl:42])[n:39][cH:40][cH:41]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:55]>>[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:28])[NH:35][c:36]2[cH:37][c:38]([Cl:42])[n:39][cH:40][cH:41]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 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 844322-Chloropyridin-4-amineHCID 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 178423814HCID 178423814, compound

Sources & evidence

ORD record
ord-e99020714df74834abf7a6f704b9e316
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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