Benzene → HCID 21409837, compound

HRID 1134431Notes

Reaction equation

HRID 1134431 reaction equation
[CH3:39][CH2:40][OH:41].[ClH:1].[N+:2]([O-:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][CH2:12][C:13]2([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:25][cH:26]1.[NH2:30][NH2:31].[Na+:28].[OH-:27].[OH2:29].[OH2:38].[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[NH2:2][c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][CH2:12][C:13]2([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:25][cH:26]1

Participants

9

Sources & evidence

ORD record
ord-4ae4a50bd92d4bfb8be5e60e0b806760
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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