Phenyl isocyanate → HCID 178438168, compound

HRID 2143205Notes

Reaction equation

[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:37][CH3:38])[C:6](=[O:36])[O:7][CH2:8][c:9]2[c:10]1[cH:11][c:12]1[n:20]([c:21]2=[O:22])[CH2:19][c:18]2[c:13]-1[n:14][c:15]1[c:16]([c:17]2[CH2:23][CH2:24][Si:25]([CH2:26][CH2:27][CH2:28][NH3+:29])([CH3:30])[CH3:31])[cH:32][cH:33][cH:34][cH:35]1.[F:39][C:40]([F:41])([F:42])[C:43]([O-:44])=[O:45].[O:46]=[C:47]=[N:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:37][CH3:38])[C:6](=[O:36])[O:7][CH2:8][c:9]2[c:10]1[cH:11][c:12]1[n:20]([c:21]2=[O:22])[CH2:19][c:18]2[c:13]-1[n:14][c:15]1[c:16]([c:17]2[CH2:23][CH2:24][Si:25]([CH2:26][CH2:27][CH2:28][NH:29][C:47](=[O:46])[NH:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([CH3:30])[CH3:31])[cH:32][cH:33][cH:34][cH:35]1

Participants

Reactant 3

HCID 7672Phenyl isocyanate

HCID 84468Trifluoroacetate

HCID 154047101HCID 154047101, compound

Product 1

HCID 178438168HCID 178438168, compound

Sources & evidence

ORD record: ord-8c2ab8b17f844771b102f7607c9f6830
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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