HRID194319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID83545

Methyl N-methylglycinate

C4H9NO2

结构：N#Cc1c(Cl)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1N1CCCCC1

HCID86640009

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN(C)c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c(N2CCCCC2)c1C#N

HCID66671863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13f3fa27b36d4e1eab16194a3de7c071
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:1][c:2]1[n:3][c:4]([S:18][CH2:19][c:20]2[n:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[s:23][cH:24]2)[c:5]([C:16]#[N:17])[c:6]([N:10]2[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]2)[c:7]1[C:8]#[N:9].[ClH:32].[NH:33]([CH3:34])[CH2:35][C:36](=[O:37])[O:38][CH3:39].[OH2:47]>>[c:2]1([N:33]([CH3:34])[CH2:35][C:36](=[O:37])[O:38][CH3:39])[n:3][c:4]([S:18][CH2:19][c:20]2[n:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[s:23][cH:24]2)[c:5]([C:16]#[N:17])[c:6]([N:10]2[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]2)[c:7]1[C:8]#[N:9]