HRID103996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8007

Butylamine

C4H11N

HCID19660

Carbonate

CO3-2

HCID23978

Copper

结构：CCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1nn(CCc2ccccc2)c(Br)c1C(=O)OCC

HCID22103828

未命名化合物

PRODUCTS

生成物

结构：CCCCNc1c(C(=O)OCC)c(N(CCC)Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1CCc1ccccc1

HCID22103830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-172a358fb19a4a28a848cd328cf227e5
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:1](=[O:2])([O-:3])[O-:4].[CH2:7]([CH2:8][CH2:9][CH3:10])[NH2:11].[Cu:72].[K+:5].[K+:6].[c:12]1([CH2:18][CH2:19][n:20]2[n:21][c:22]([N:31]([CH2:32][c:33]3[cH:34][cH:35][c:36](-[c:39]4[c:40](-[c:45]5[n:46][n:47][n:48][n:49]5[C:50]([c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)([c:57]5[cH:58][cH:59][cH:60][cH:61][cH:62]5)[c:63]5[cH:64][cH:65][cH:66][cH:67][cH:68]5)[cH:41][cH:42][cH:43][cH:44]4)[cH:37][cH:38]3)[CH2:69][CH2:70][CH3:71])[c:23]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:24]2[Br:25])[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[CH2:7]([CH2:8][CH2:9][CH3:10])[NH:11][c:24]1[n:20]([CH2:19][CH2:18][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[n:21][c:22]([N:31]([CH2:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[c:40](-[c:45]4[n:46][n:47][n:48][n:49]4[C:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)([c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[cH:41][cH:42][cH:43][cH:44]3)[cH:37][cH:38]2)[CH2:69][CH2:70][CH3:71])[c:23]1[C:26](=[O:27])[O:28][CH2:29][CH3:30]