HRID195140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID612

Lactic acid

C3H6O3

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：c1ccc(Oc2cc(Sc3ccccn3)cnc2Nc2nc(C3CCNCC3)ns2)cc1

HCID57742792

未命名化合物

PRODUCTS

生成物

结构：CC(O)C(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3ccccc3)n2)CC1

HCID66994969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0aebdfa9dafb490d9b0eb6251ae7dfac
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

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