Water → HCID 178493266, compound

HRID 2141910Notes

Reaction equation

HRID 2141910 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.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:56].[OH:35][c:36]1[c:37]([O:43][CH3:44])[cH:38][c:39]([NH2:40])[cH:41][cH:42]1.[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:28])[NH:40][c:39]2[cH:38][c:37]([O:43][CH3:44])[c:36]([OH:35])[cH:42][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 1049PyridineHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 1012964-AminoguaiacolHCID 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 178493266HCID 178493266, compound

Sources & evidence

ORD record
ord-2fe6e23df59640ef9629a1a4083ede16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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