HRID152991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID80572

Ketone, 5-chloro-2-thienyl methyl

C6H5ClOS

HCID81531

Diisopropylethylamine

C8H19N

HCID57874408

未命名化合物

结构：O=C(O)CNC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1

HCID66591784

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cc(F)ccc2F)CC1)c1cc(-c2ccc(Cl)s2)[nH]n1

HCID44235275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a15e816ca6c454e9de3efbcd448d1bb
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

[C:28]([c:29]1[s:30][c:31]([Cl:32])[cH:33][cH:34]1)(=[O:35])[CH3:36].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[s:15]1.[ClH:58].[ClH:59].[F:60][c:61]1[c:62]([O:63][CH:64]2[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]2)[cH:70][c:71]([F:74])[cH:72][cH:73]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:67]3[CH2:66][CH2:65][CH:64]([O:63][c:62]4[c:61]([F:60])[cH:73][cH:72][c:71]([F:74])[cH:70]4)[CH2:69][CH2:68]3)[n:19][nH:20]2)[s:15]1