HRID169058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID94429

Triphosgene

C3Cl6O3

HCID735862

5-(trifluoromethyl)pyridin-2-amine

C6H5F3N2

结构：N#Cc1c(Oc2cccc(N)c2)ccc2nc(NC(=O)C3CC3)sc12

HCID86644685

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(Oc2cccc(NC(=O)Nc3ccc(C(F)(F)F)cn3)c2)ccc2nc(NC(=O)C3CC3)sc12

HCID59454504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14d879485f20419f86e9677491cd4130
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:1]([O:2][C:3]([Cl:4])([Cl:5])[Cl:6])([O:7][C:8]([Cl:9])([Cl:10])[Cl:11])=[O:12].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[F:45][C:46]([c:47]1[cH:48][cH:49][c:50]([NH2:53])[n:51][cH:52]1)([F:54])[F:55].[NH2:13][c:14]1[cH:15][c:16]([O:17][c:18]2[c:19]([C:33]#[N:34])[c:20]3[c:21]([n:22][c:23]([NH:25][C:26](=[O:27])[CH:28]4[CH2:29][CH2:30]4)[s:24]3)[cH:31][cH:32]2)[cH:35][cH:36][cH:37]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[C:1](=[O:12])([NH:13][c:14]1[cH:15][c:16]([O:17][c:18]2[c:19]([C:33]#[N:34])[c:20]3[c:21]([n:22][c:23]([NH:25][C:26](=[O:27])[CH:28]4[CH2:29][CH2:30]4)[s:24]3)[cH:31][cH:32]2)[cH:35][cH:36][cH:37]1)[NH:53][c:50]1[cH:49][cH:48][c:47]([C:46]([F:45])([F:54])[F:55])[cH:52][n:51]1