Benzene → HCID 20492382, compound

HRID 296559Notes

Reaction equation

HRID 296559 reaction equation
[N:39]12[CH2:40][CH2:41][N:42]([CH2:43][CH2:44]1)[CH2:45][CH2:46]2.[O:30]=[C:31]=[N:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:1]1([NH:7][C:8](=[O:9])[O:10][CH:11]2[CH2:12][C:13]([CH3:28])([CH3:29])[N:14]([CH2:19][CH:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[OH:27])[C:15]([CH3:17])([CH3:18])[CH2:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[c:1]1([NH:7][C:8](=[O:9])[O:10][CH:11]2[CH2:12][C:13]([CH3:28])([CH3:29])[N:14]([CH2:19][CH:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[O:27][C:31](=[O:30])[NH:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[C:15]([CH3:17])([CH3:18])[CH2:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 7672Phenyl isocyanateHCID 9237DabcoHCID 20492274HCID 20492274, compound

Product 1

HCID 20492382HCID 20492382, compound

Sources & evidence

ORD record
ord-2f8bbeec06f14031ae4b827993d4512e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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