HRID97209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID297

Methane

CH4

结构：CCCc1nc(-n2c(C)ccc2C)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19106920

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(-n2c(C)ccc2C)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178440181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc329b9e341b443b9645ebd14df83045
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

[CH3:1][c:2]1[n:3](-[c:8]2[n:9][c:10]([CH2:52][CH2:53][CH3:54])[n:11]([CH2:15][c:16]3[cH:17][cH:18][c:19](-[c:22]4[c:23](-[c:28]5[n:29][n:30][n:31][n:32]5[C:33]([c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)([c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[c:46]5[cH:47][cH:48][cH:49][cH:50][cH:51]5)[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[c:12]2[CH:13]=[O:14])[c:4]([CH3:7])[cH:5][cH:6]1.[CH4:55].[NH3:56]>>[CH3:1][c:2]1[n:3](-[c:8]2[n:9][c:10]([CH2:52][CH2:53][CH3:54])[n:11]([CH2:15][c:16]3[cH:17][cH:18][c:19](-[c:22]4[c:23](-[c:28]5[nH:29][n:30][n:31][n:32]5)[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[c:12]2[CH:13]=[O:14])[c:4]([CH3:7])[cH:5][cH:6]1