Acetonitrile → HCID 178424756, compound

HRID 1225088Notes

Reaction equation

[CH3:46][C:47]#[N:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[s:12][c:13]2[c:14]([n:15]1)[c:16]([C:20](=[O:21])[Cl:22])[cH:17][cH:18][cH:19]2.[NH2:23][CH2:24][CH:25]1[N:26]([C:31](=[O:32])[c:33]2[n:34][c:35]([CH3:45])[s:36][c:37]2-[c:38]2[cH:39][c:40]([CH3:44])[cH:41][cH:42][cH:43]2)[CH:27]2[CH2:28][CH:29]2[CH2:30]1>>[Cl:10][c:11]1[s:12][c:13]2[c:14]([n:15]1)[c:16]([C:20](=[O:21])[NH:23][CH2:24][CH:25]1[N:26]([C:31](=[O:32])[c:33]3[n:34][c:35]([CH3:45])[s:36][c:37]3-[c:38]3[cH:39][c:40]([CH3:44])[cH:41][cH:42][cH:43]3)[CH:27]3[CH2:28][CH:29]3[CH2:30]1)[cH:17][cH:18][cH:19]2

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 81531Diisopropylethylamine

HCID 189844482-Chloro-1,3-benzothiazole-4-carbonyl chloride

HCID 178424753HCID 178424753, compound

Product 1

HCID 178424756HCID 178424756, compound

Sources & evidence

ORD record: ord-ab4a34618d8a49b2b59baf6d5e4663d0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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