HRID1127501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID253298

2-Furanmethanamine, tetrahydro-

C5H11NO

结构：O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3

HCID57526683

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CCCO1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3

HCID178523025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a56bf9e61e740179a51c2ff35ad03dd
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

[CH2:73]([CH:74]1[CH2:75][CH2:76][CH2:77][O:78]1)[NH2:79].[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[CH3:83][CH2:84][O:85][CH2:86][CH3:87].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:39](=[O:40])[OH:41])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:35][cH:36][cH:37][cH:38]2)[CH:18]=[C:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[CH2:27][CH2:28]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:80][CH2:81][Cl:82].[ClH:51].[OH:63][n:64]1[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:39](=[O:40])[NH:79][CH2:73][CH:74]4[CH2:75][CH2:76][CH2:77][O:78]4)[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:35][cH:36][cH:37][cH:38]2)[CH:18]=[C:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[CH2:27][CH2:28]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1