HRID685601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NCCNCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID18442414

未命名化合物

结构：Cn1ncc(NC(=O)Oc2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21904567

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)N(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)CCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86597869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f714fbd28cee4dd6a0e6066c593100de
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

[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[NH:56][CH2:57][CH2:58][CH2:59][NH:60][CH2:61][CH2:62][NH:63][C:64]([O:65][C:66]([CH3:67])([CH3:68])[CH3:69])=[O:70].[CH2:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH:76]([CH3:77])[CH3:78])[CH3:79].[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([O:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:30])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH:86]([Cl:87])([Cl:88])[Cl:89]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[N:60]([CH2:59][CH2:58][CH2:57][NH:56][C:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[CH2:61][CH2:62][NH:63][C:64]([O:65][C:66]([CH3:67])([CH3:68])[CH3:69])=[O:70])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1