Benzene → HCID 178440541, compound

HRID 100342Notes

Reaction equation

HRID 100342 reaction equation
[CH2:12]([CH:13]([CH3:14])[CH3:15])[C:16]12[CH:17]([OH:34])[CH2:18][CH2:19][CH:20]1[CH:21]1[CH:22]([CH2:23][CH2:24]2)[CH:25]2[CH2:26][CH2:27][C:28](=[O:33])[CH:29]=[C:30]2[CH2:31][CH2:32]1.[OH2:35].[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[Cl:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[O:34][CH:17]2[C:16]3([CH2:12][CH:13]([CH3:14])[CH3:15])[CH:20]([CH2:19][CH2:18]2)[CH:21]2[CH:22]([CH2:23][CH2:24]3)[CH:25]3[CH2:26][CH2:27][C:28](=[O:33])[CH:29]=[C:30]3[CH2:31][CH2:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 1049PyridineHCID 64801Benzenepropanoyl chlorideHCID 178440539HCID 178440539, compound

Product 1

HCID 178440541HCID 178440541, compound

Sources & evidence

ORD record
ord-4331ca645dec4c4cabe56f9f9889d5cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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