HRID2127664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

结构：CON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID2724510

(Methoxyimino){2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl}acetic acid

C25H21N3O3S

结构：CC(=O)CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(N)C2SC1

HCID20281131

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CC(C)=O)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54419563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-268c79b77813465fa16ce925ac53fb04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:37]([C:38](=[O:39])[CH3:40])[C:41]1=[C:42]([C:51](=[O:52])[O:53][CH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[N:43]2[C:44](=[O:50])[CH:45]([NH2:49])[CH:46]2[S:47][CH2:48]1.[CH2:74]([Cl:75])[Cl:76].[CH3:5][O:6][N:7]=[C:8]([C:9](=[O:10])[OH:11])[c:12]1[n:13][c:14]([NH:17][C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[s:15][cH:16]1.[CH3:77][N:78]([CH3:79])[C:80](=[O:81])[CH3:82].[CH3:83][CH2:84][N:85]([CH2:86][CH3:87])[CH2:88][CH3:89].[Cl:1][C:2](=[O:3])[Cl:4].[ClH:67].[cH:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[CH3:5][O:6][N:7]=[C:8]([C:9](=[O:10])[NH:49][CH:45]1[C:44](=[O:50])[N:43]2[C:42]([C:51](=[O:52])[O:53][CH:54]([c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)=[C:41]([CH2:37][C:38](=[O:39])[CH3:40])[CH2:48][S:47][CH:46]21)[c:12]1[n:13][c:14]([NH:17][C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[s:15][cH:16]1