HRID2125454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID123064

3-Fluorophenyl isocyanate

C7H4FNO

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3ccc(N)nc3)n2)cc1

HCID66611800

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3ccc(NC(=O)Nc4cccc(F)c4)nc3)n2)cc1

HCID66611799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52e444ad0667474bb095acded7abfd00
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

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:22][c:23]4[cH:24][cH:25][c:26]([NH2:29])[n:27][cH:28]4)[n:18][cH:19][cH:20][cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[F:41][c:42]1[cH:43][c:44]([N:48]=[C:49]=[O:50])[cH:45][cH:46][cH:47]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:22][c:23]4[cH:24][cH:25][c:26]([NH:29][C:49]([NH:48][c:44]5[cH:43][c:42]([F:41])[cH:47][cH:46][cH:45]5)=[O:50])[n:27][cH:28]4)[n:18][cH:19][cH:20][cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1