HRID1149586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)cc3F)c2cc1OC

HCID59598352

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(CC(C)OC(=O)CNC(=O)OC(C)(C)C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC

HCID68760255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf0ef5d06454f15aafd3ec2e7b7bd3c
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

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