HRID294587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCc1nc2ccc(C3ON4CCCC4C3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID18958919

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2ccc(C3ON4CCCC4C3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7c798573b3b477a945c87f7d0c1cfc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:53]3[CH:54]([C:61](=[O:62])[O:63][CH2:64][CH3:65])[CH:55]4[N:56]([O:57]3)[CH2:58][CH2:59][CH2:60]4)[cH:11][c:12]2[c:13](=[O:52])[n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23](-[c:28]3[n:29][n:30][n:31][n:32]3[C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1.[CH3:66][CH2:67][OH:68].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:69]([Cl:70])([Cl:71])[Cl:72]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:53]3[CH:54]([C:61](=[O:62])[O:63][CH2:64][CH3:65])[CH:55]4[N:56]([O:57]3)[CH2:58][CH2:59][CH2:60]4)[cH:11][c:12]2[c:13](=[O:52])[n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23](-[c:28]3[n:29][n:30][n:31][nH:32]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1