Acetonitrile → HCID 76834407, compound

Reaction equation

[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:31])[C:5](=[O:30])[N:6]([CH:24]([CH2:25][OH:26])[CH:27]2[CH2:28][CH2:29]2)[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[SH:39].[CH3:40][C:41]#[N:42]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:31])[C:5](=[O:30])[N:6]([CH:24]([CH2:25][S:39][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:27]2[CH2:28][CH2:29]2)[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1

Participants

Reactant 3

HCID 6342Acetonitrile

HCID 7509Benzyl mercaptan

HCID 76834713HCID 76834713, compound

Product 1

HCID 76834407HCID 76834407, compound

Sources & evidence

ORD record: ord-0f0bb899fb8443869aa5d62131ffcc32
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…