HRID2350490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

结构：FC(F)(F)c1ccc(Oc2cccc(C(=C3CCNCC3)c3ccccc3)c2)nc1

HCID86623915

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnc1)N1CCC(=C(c2ccccc2)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

HCID24967637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32bf9d22f24b40a19fb544b32f6ab3b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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