HRID697547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID88069

4-Methylphthalic anhydride

C9H6O3

结构：Cc1ccc2c(N3CCN(CCc4cccc(N)c4)CC3)cccc2n1

HCID49852105

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)C(=O)N(c1cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c1)C2=O

HCID57444327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-293c713327404a9e814a2192581a8001
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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