HRID316388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID27946

1-Pyrrolidinamine

C4H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2777319

4-(Trifluoromethoxy)phenylacetic acid

C9H7F3O3

HCID178483056

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1nc(NC2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)nc2c1sc1ccccc12

HCID178483057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a437bf2a7834a408e2aaaea8bccc693
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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