HRID213307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Nc1ncc(-c2nc(N3CCOCC3)c3nc(N4CCNCC4)n(CC4CC4)c3n2)cn1

HCID59333573

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC2CC2)CC1

HCID59333679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41aea7b5072c4855a0e64c880fa34994
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:13][N:14]([CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22])[CH3:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:64][N:65]([CH2:66][C:67](=[O:68])[OH:69])[CH3:70].[CH3:71][OH:72].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:31]1([CH2:34][n:35]2[c:36]3[n:37][c:38](-[c:56]4[cH:57][n:58][c:59]([NH2:62])[n:60][cH:61]4)[n:39][c:40]([N:50]4[CH2:51][CH2:52][O:53][CH2:54][CH2:55]4)[c:41]3[n:42][c:43]2[N:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[CH2:32][CH2:33]1.[Cl:73][CH2:74][Cl:75].[ClH:12].[ClH:63].[OH2:1].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1>>[CH:31]1([CH2:34][n:35]2[c:36]3[n:37][c:38](-[c:56]4[cH:57][n:58][c:59]([NH2:62])[n:60][cH:61]4)[n:39][c:40]([N:50]4[CH2:51][CH2:52][O:53][CH2:54][CH2:55]4)[c:41]3[n:42][c:43]2[N:44]2[CH2:45][CH2:46][N:47]([C:67]([CH2:66][N:65]([CH3:64])[CH3:70])=[O:68])[CH2:48][CH2:49]2)[CH2:32][CH2:33]1