HRID102478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7035

Benzene, 1,1'-(chloromethylene)bis-

C13H11Cl

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)CCCn1cc(C(=O)c2ccc(N)c(OCCCN3CCN(c4ccccc4OC)CC3)c2)c2ccccc21

HCID21197993

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCn1cc(C(=O)c2ccc(NC(c3ccccc3)c3ccccc3)c(OCCCN3CCN(c4ccccc4OC)CC3)c2)c2ccccc21

HCID15513821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f74540010c844949bc6080e06f0baf3
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:60](=[O:61])([O-:62])[O-:63].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[ClH:1].[K+:64].[K+:65].[NH2:2][c:3]1[c:4]([O:28][CH2:29][CH2:30][CH2:31][N:32]2[CH2:33][CH2:34][N:35]([c:38]3[c:39]([O:44][CH3:45])[cH:40][cH:41][cH:42][cH:43]3)[CH2:36][CH2:37]2)[cH:5][c:6]([C:7](=[O:8])[c:9]2[cH:10][n:11]([CH2:18][CH2:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:26][cH:27]1.[c:46]1([CH:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[Cl:59])[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[NH:2]([c:3]1[c:4]([O:28][CH2:29][CH2:30][CH2:31][N:32]2[CH2:33][CH2:34][N:35]([c:38]3[c:39]([O:44][CH3:45])[cH:40][cH:41][cH:42][cH:43]3)[CH2:36][CH2:37]2)[cH:5][c:6]([C:7](=[O:8])[c:9]2[cH:10][n:11]([CH2:18][CH2:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:26][cH:27]1)[CH:52]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1