HRID177572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

结构：CNCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

HCID15308305

未命名化合物

HCID22556886

5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid

C12H11NO2

PRODUCTS

生成物

结构：Cc1c(CNC(=O)c2cn3c4c(cccc24)CCC3)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID54177960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d50276f5dab147179ea7acab0e56f6fc
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]([N:49]([CH2:50][CH3:51])[CH2:52][CH3:53])[CH3:54].[CH3:20][c:21]1[c:22]([CH2:45][NH:46][CH3:47])[n:23][cH:24][n:25]1[C:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:55][C:56]#[N:57].[S:16]([Cl:17])([Cl:18])=[O:19].[c:1]1([C:13](=[O:14])[OH:15])[cH:2][n:3]2[c:12]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[CH2:6][CH2:5][CH2:4]2>>[c:1]1([C:13](=[O:15])[NH:46][CH2:45][c:22]2[c:21]([CH3:20])[n:25]([C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:24][n:23]2)[cH:2][n:3]2[c:12]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[CH2:6][CH2:5][CH2:4]2