HRID1536150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：CC(=O)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1

HCID22134468

未命名化合物

HCID57721394

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(-c2ccccc2)cc(N=C(C)c2cccc(C(C)=Nc3c(C)cc(C)cc3C)n2)cc1-c1ccccc1

HCID57721389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6125645373224fbea10f2d9c962a6a3e
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

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