HRID1573192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID56953627

未命名化合物

结构：CCOC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1

HCID66876777

未命名化合物

PRODUCTS

生成物

结构：CCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(-c2ccccc2)n1

HCID58267828

1-[3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl]-3-[3-(2-ethoxypropan-2-yl)-1-phenyl-1H-pyrazol-5-yl]urea

C31H32N6O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06e8254dbff84c46a30a37e8e0907e6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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