HRID1139021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID75646

Cyclopropanemethanamine

C4H9N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1

HCID59216329

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CC1)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1

HCID24830463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a04be1fc35b942edb46d3218fe207e38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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