HRID150139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

结构：O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)c(=O)n2ccc3ccsc3c12

HCID19353629

未命名化合物

HCID19353678

N-(Cyclopropylmethyl)-2-methoxyethan-1-amine

C7H15NO

PRODUCTS

生成物

结构：COCCN(CC1CC1)C(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)c(=O)n2ccc3ccsc3c12

HCID56610003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-243abce8ba0c433ebdef6aa0f7181a44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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