HRID2153749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID199576

4-Morpholinepropanol

C7H15NO2

结构：Cn1cc(-c2cc(F)c3nnc(C(F)(F)c4ccc5ncc(O)cc5c4)n3c2)cn1

HCID57691019

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cc(F)c3nnc(C(F)(F)c4ccc5ncc(OCCCN6CCOCC6)cc5c4)n3c2)cn1

HCID44181150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4802ad0bdde14f3987c15651e0b9cbed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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