Phenyl Isothiocyanate → HCID 15462641, compound

HRID 662307Notes

Reaction equation

HRID 662307 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH3:5])[CH2:6][c:7]1[c:8]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:9](-[c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[c:10]2[c:11]([n:12]1)[s:13][c:14]1[c:19]2[CH2:18][CH2:17][NH:16][CH2:15]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[c:35]1([N:41]=[C:42]=[S:43])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH3:5])[CH2:6][c:7]1[c:8]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:9](-[c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[c:10]2[c:11]([n:12]1)[s:13][c:14]1[c:19]2[CH2:18][CH2:17][N:16]([C:42]([NH:41][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[S:43])[CH2:15]1

Participants

4

Reactant 3

HCID 7673Phenyl IsothiocyanateHCID 8028TetrahydrofuranHCID 10505011HCID 10505011, compound

Product 1

HCID 15462641HCID 15462641, compound

Sources & evidence

ORD record
ord-84c5baa8fbda45abb607f2e0cfbdbd44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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