Benzene → HCID 23458740, compound

HRID 201461Notes

Reaction equation

HRID 201461 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[NH:12][CH:13]([CH:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[N:30]2[C:31](=[O:32])[c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]3[C:39]2=[O:40])[S:14][C:15]12[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2.[CH3:50][OH:51].[NH2:42][NH2:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:41].[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[NH:12][CH:13]([CH:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[NH2:30])[S:14][C:15]12[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2

Participants

7

Reactant 6

HCID 241BenzeneHCID 887MethanolHCID 962WaterHCID 9321HydrazineHCID 312751,4-DioxaneHCID 23458717HCID 23458717, compound

Product 1

HCID 23458740HCID 23458740, compound

Sources & evidence

ORD record
ord-9c6622adb5dc4ef5a9c2b21aea425848
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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