Benzene → HCID 53955194, compound

HRID 1232222Notes

Reaction equation

HRID 1232222 reaction equation
[CH3:1][n:2]1[n:3][c:4]([NH2:24])[n:5][c:6]1[NH:7][CH2:8][CH2:9][CH2:10][O:11][C:12]1=[CH:13][CH2:14][CH:15]=[C:16]([CH2:18][N:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[CH2:17]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[n:25]1[cH:26][cH:27][c:28]([CH:31]=[O:32])[cH:29][cH:30]1>>[CH3:1][n:2]1[n:3][c:4]([N:24]=[CH:31][c:28]2[cH:27][cH:26][n:25][cH:30][cH:29]2)[n:5][c:6]1[NH:7][CH2:8][CH2:9][CH2:10][O:11][C:12]1=[CH:13][CH2:14][CH:15]=[C:16]([CH2:18][N:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[CH2:17]1

Participants

4

Reactant 3

HCID 241BenzeneHCID 133894-PyridinecarboxaldehydeHCID 12918742HCID 12918742, compound

Product 1

HCID 53955194HCID 53955194, compound

Sources & evidence

ORD record
ord-15c1eb1a37ee4fae8eab742c656326ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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