HRID1206494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID1275343

2-(2-Aminoethyl)-1H-isoindole-1,3(2H)-dione

C10H10N2O2

结构：CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(SC(C)(C)C)C1

HCID67232768

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)SC1CN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

HCID67233386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b902f65162a4f719546b0b5423b3f6b
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

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