Benzene → HCID 15383947, compound

HRID 2331130Notes

Reaction equation

HRID 2331130 reaction equation
[CH2:54]([P:55]([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][CH:7]2[CH2:8][N:9]([CH:13]([CH2:14][OH:15])[CH3:16])[C:10](=[O:12])[O:11]2)[cH:17][cH:18][cH:19]1.[N:67]([C:68]([N:69]1[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1)=[O:75])=[N:76][C:77]([N:78]1[CH2:79][CH2:80][CH2:81][CH2:82][CH2:83]1)=[O:84].[OH:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][CH:26]2[C:27](=[O:51])[N:28]([C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[C:29](=[O:31])[S:30]2)[cH:52][cH:53]1.[cH:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][CH:7]2[CH2:8][N:9]([CH:13]([CH2:14][O:15][c:21]3[cH:22][cH:23][c:24]([CH2:25][CH:26]4[C:27](=[O:51])[N:28]([C:32]([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[C:29](=[O:31])[S:30]4)[cH:52][cH:53]3)[CH3:16])[C:10](=[O:12])[O:11]2)[cH:17][cH:18][cH:19]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 28181265-(4-Hydroxybenzyl)-3-triphenylmethylthiazolidine-2,4-dioneHCID 21474716HCID 21474716, compound

Product 1

HCID 15383947HCID 15383947, compound

Sources & evidence

ORD record
ord-2d55fff73b424ec98f940d0bce900371
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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