HRID1132959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2759930

Methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate

C7H8N2O4

结构：Cn1cc(NC(=O)OCCS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)O

HCID23510776

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(NC(=O)c2nc(NC(=O)OCCS(=O)(=O)c3ccc(C(F)(F)F)cc3)cn2C)cn1C

HCID20740657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e77769a6909418494b86fccd80d9d73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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