HRID2135465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID92259

2,6-Diisopropylphenyl isocyanate

C13H17NO

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(CCN)cc3)cc21

HCID86587774

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc1

HCID18537628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdb06335a6634f238a50c85f68d322f0
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

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