HRID2139151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8110

Butyl isocyanate

C5H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OCC#CCO

HCID10144334

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)OCC#CCOc1nc(-c2ccncc2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC

HCID10122442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a116d604fe14c0aa0b49d7a4e2aa240
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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