HRID1563893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID45791348

未命名化合物

HCID59337548

未命名化合物

结构：CC(CN1CC(C)(C)OCC1C(=O)O)NC(=O)OC(C)(C)C

HCID67164035

未命名化合物

PRODUCTS

生成物

结构：Cc1cncc2[nH]c3c(NC(=O)C4COC(C)(C)CN4CC(C)NC(=O)OC(C)(C)C)cc(Cl)cc3c12

HCID178430447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d31af9b63b6427dadf453e952e06f46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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