HRID700040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8357

3,4,5-Trimethoxybenzoic acid

C10H12O5

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID517766

5-Isocyanato-1,2,3-trimethoxybenzene

C10H11NO4

HCID10446536

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)Nc2cnc3c(C)cc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC

HCID15035154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-840c3b763a164c4b99975afbff2e6971
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

[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[c:7]([O:8][CH3:9])[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15]1.[CH3:33][O:34][c:35]1[cH:36][c:37]([N:45]=[C:46]=[O:47])[cH:38][c:39]([O:43][CH3:44])[c:40]1[O:41][CH3:42].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[NH2:48][c:49]1[cH:50][n:51][c:52]2[c:53]([CH3:67])[cH:54][c:55]([CH3:66])[cH:56][c:57]2[c:58]1-[c:59]1[c:60]([Cl:65])[cH:61][cH:62][cH:63][cH:64]1.[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[c:16]1([P:17]([N:18]=[N+:19]=[N-:20])([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH3:33][O:34][c:35]1[cH:36][c:37]([NH:45][C:46](=[O:47])[NH:48][c:49]2[cH:50][n:51][c:52]3[c:53]([CH3:67])[cH:54][c:55]([CH3:66])[cH:56][c:57]3[c:58]2-[c:59]2[c:60]([Cl:65])[cH:61][cH:62][cH:63][cH:64]2)[cH:38][c:39]([O:43][CH3:44])[c:40]1[O:41][CH3:42]