HRID700854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1018

Picolinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(C1CCNCC1)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1

HCID18538605

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccn1)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)CC1

HCID18538941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-043f8eaa7b334c91806b3ac8f92fd65f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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