HRID1570824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19425273

未命名化合物

结构：O=C(O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O

HCID58011885

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1cccc(C(F)(F)F)c1

HCID58011813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e714569eebf473e8e0a2ee87e89f409
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][n:9]([CH2:21][C:22](=[O:23])[OH:24])[c:10](=[O:20])[n:11]2[CH2:12][c:13]2[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]2)[s:6]1.[F:25][C:26]([c:27]1[cH:28][c:29]([C:33]([CH3:34])([CH3:35])[NH2:36])[cH:30][cH:31][cH:32]1)([F:37])[F:38].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:64].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][n:9]([CH2:21][C:22](=[O:24])[NH:36][C:33]([c:29]3[cH:28][c:27]([C:26]([F:25])([F:37])[F:38])[cH:32][cH:31][cH:30]3)([CH3:34])[CH3:35])[c:10](=[O:20])[n:11]2[CH2:12][c:13]2[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]2)[s:6]1