HRID120365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7918

Acetic anhydride

C4H6O3

结构：Nc1nc2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID13105585

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID178474484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da28dc5176b64651b5327921cb675005
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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