HRID1211037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2733703

2,4,6-Trichlorobenzoyl chloride

C7H2Cl4O

结构：C=CCCCC1CC(O)CC(OC)(C2CSC(=O)N2Cc2ccc(OC)cc2)O1

HCID178442222

未命名化合物

PRODUCTS

生成物

结构：C=CCCCC1CC(OC(=O)c2ccccc2)CC(OC)(C2CSC(=O)N2Cc2ccc(OC)cc2)O1

HCID67438403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-539adfe4fd2149b4a108ffff28bb31df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[Cl:19][c:20]1[cH:21][c:22]([Cl:23])[cH:24][c:25]([Cl:26])[c:27]1[C:28]([Cl:29])=[O:30].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[OH:31][CH:32]1[CH2:33][C:34]([O:43][CH3:44])([CH:45]2[N:46]([CH2:51][c:52]3[cH:53][cH:54][c:55]([O:58][CH3:59])[cH:56][cH:57]3)[C:47](=[O:50])[S:48][CH2:49]2)[O:35][CH:36]([CH2:38][CH2:39][CH2:40][CH:41]=[CH2:42])[CH2:37]1>>[O:1]([C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:32]1[CH2:33][C:34]([O:43][CH3:44])([CH:45]2[N:46]([CH2:51][c:52]3[cH:53][cH:54][c:55]([O:58][CH3:59])[cH:56][cH:57]3)[C:47](=[O:50])[S:48][CH2:49]2)[O:35][CH:36]([CH2:38][CH2:39][CH2:40][CH:41]=[CH2:42])[CH2:37]1