HRID312515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(=O)OC(c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C)C1CCc2cc3ccccc3n2C1=O

HCID10008392

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C=C2CCc3cc4ccccc4n3C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID53718530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7422e44510f479ba5a1aedf08d297bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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