HRID813660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2733265

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

C8H3ClF3NO

反应SMILES：CNc1cc(-n2cc(-c3ccc(OC)cc3)c3ccc(-c4cccc(N)c4)cc32)ncn1

HCID50992002

未命名化合物

PRODUCTS

产物

反应SMILES：CNc1cc(-n2cc(-c3ccc(OC)cc3)c3ccc(-c4cccc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)cc32)ncn1

HCID50992003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fc68300129224e58aabdc5d7bc77d6c9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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