Water → HCID 178517273, compound

HRID 138103Notes

Reaction equation

HRID 138103 reaction equation
[CH2:1]([O:2][C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)=[C:11]1[C:12](=[O:23])[NH:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]21)[CH3:3].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37].[n:24]1([CH2:29][c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[cH:25][n:26][cH:27][cH:28]1>>[C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)(=[C:11]1[C:12](=[O:23])[NH:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]21)[NH:34][c:33]1[cH:32][cH:31][c:30]([CH2:29][n:24]2[cH:25][n:26][cH:27][cH:28]2)[cH:36][cH:35]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 12653194-Imidazol-1-ylmethylphenylamineHCID 537348873-(1-Ethoxy-1-phenylmethylidene)-5-nitro-2-indolinone

Product 1

HCID 178517273HCID 178517273, compound

Sources & evidence

ORD record
ord-81e3b72dd2ed4e61aef6738b4a4ecc76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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