HRID288804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID15547048

10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H12N2

HCID21947721

2-Methoxy-2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid

C15H11F3O3

PRODUCTS

生成物

结构：COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

HCID21947785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0422165200bd4ed990fb0ee55a91352f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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