HRID1142694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6581

Acrylic acid

C3H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1cnc2c(sc3c(N)cccc32)c1Nc1cccc(Br)c1

HCID21956412

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)Nc1cccc2c1sc1c(Nc3cccc(Br)c3)c(C#N)cnc12

HCID10161003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efca5e36d6f14526bf82bb735e7d1a61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[ClH:39].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9]1[c:10]2[n:11][cH:12][c:13]([C:23]#[N:24])[c:14]1[NH:15][c:16]1[cH:17][c:18]([Br:22])[cH:19][cH:20][cH:21]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH:25][C:26](=[O:27])[CH:28]=[CH2:29]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9]1[c:10]2[n:11][cH:12][c:13]([C:23]#[N:24])[c:14]1[NH:15][c:16]1[cH:17][c:18]([Br:22])[cH:19][cH:20][cH:21]1)[C:26](=[O:25])[CH:28]=[CH2:29]