HRID137231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7243

1,2-Phenylenediamine

C6H8N2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID28486

Lithium ion

Li+

2 次

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COC(=O)c1ccc(CC(C(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1

HCID57611860

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)Nc2ccc(Cl)cc2)CC1

HCID24753213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2f0a49b7dfe445c9107a708a6f05d22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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