Phenyl Isothiocyanate → HCID 178522528, compound

HRID 1569168Notes

Reaction equation

HRID 1569168 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]1[C:7](=[O:29])[N:8]([CH2:23][c:24]2[n:25][n:26][n:27][nH:28]2)[c:9]2[c:10]([cH:19][cH:20][cH:21][cH:22]2)[C:11]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[N:12]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[c:44]1([N:50]=[C:51]=[S:52])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]1[C:7](=[O:29])[N:8]([CH2:23][c:24]2[n:25][n:26][n:27][nH:28]2)[c:9]2[c:10]([cH:19][cH:20][cH:21][cH:22]2)[C:11]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[N:12]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:51]([NH:50][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[S:52]

Participants

5

Reactant 4

HCID 7673Phenyl IsothiocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 178510783HCID 178510783, compound

Product 1

HCID 178522528HCID 178522528, compound

Sources & evidence

ORD record
ord-d6aee737cb2c4c069636ed783ca7ee12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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