HRID1130417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID12378900

3-Methyl-3,8-diazabicyclo[3.2.1]octane

C7H14N2

结构：COc1ccc2c(c1)C=C(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

HCID57712202

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C=C(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

HCID57639127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fc1aba05c974dd5a33a47d7dd56e60f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]2[c:36]([CH:55]3[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]3)[c:37]3[n:38]([c:53]2[cH:54]1)[CH2:39][C:40]([C:50](=[O:51])[OH:52])=[CH:41][c:42]1[c:43]-3[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]1.[CH3:61][N:62]1[CH2:63][CH:64]2[CH2:65][CH2:66][CH:67]([CH2:68]1)[NH:69]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]2[c:36]([CH:55]3[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]3)[c:37]3[n:38]([c:53]2[cH:54]1)[CH2:39][C:40]([C:50](=[O:52])[N:69]1[CH:64]2[CH2:63][N:62]([CH3:61])[CH2:68][CH:67]1[CH2:66][CH2:65]2)=[CH:41][c:42]1[c:43]-3[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]1