HRID291663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

HCID21831135

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)NCCN(C)C)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

HCID53889813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60197bae76e54117928acdb27dab99cb
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

[CH2:61]([Cl:62])[CH2:63][Cl:64].[CH3:45][N:46]([CH2:47][CH2:48][NH2:49])[CH3:50].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([CH2:28][CH2:29][N:30]3[CH2:31][CH2:32][C:33]([C:36](=[O:37])[OH:38])([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH2:34][CH2:35]3)[CH2:10][N:11]([C:14]([c:15]3[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]3)=[O:27])[CH2:12][CH2:13]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:74][CH2:75][Cl:76].[OH:51][n:52]1[c:53]2[c:54]([cH:55][cH:56][cH:57][cH:58]2)[n:59][n:60]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([CH2:28][CH2:29][N:30]3[CH2:31][CH2:32][C:33]([C:36](=[O:37])[NH:49][CH2:48][CH2:47][N:46]([CH3:45])[CH3:50])([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH2:34][CH2:35]3)[CH2:10][N:11]([C:14]([c:15]3[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]3)=[O:27])[CH2:12][CH2:13]2)[cH:5][cH:6][c:7]1[Cl:8]