HRID2328966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCN=[N+]=[N-])cc1

HCID86609993

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCN)cc1

HCID68502787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b04ef624ad4b438988d46ea6f548f9aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:75][OH:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][c:6]1[c:7]([O:8][CH2:9][CH2:10][O:11][CH:12]2[CH2:13][N:14]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:15][CH2:16][CH:17]2[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH2:29][c:30]3[c:31]([O:36][CH3:37])[cH:32][cH:33][cH:34][cH:35]3)[cH:22][cH:23]2)[cH:45][cH:46][cH:47][cH:48]1.[NH3:49].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH2:74].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[NH2:1][CH2:4][CH2:5][c:6]1[c:7]([O:8][CH2:9][CH2:10][O:11][CH:12]2[CH2:13][N:14]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:15][CH2:16][CH:17]2[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH2:29][c:30]3[c:31]([O:36][CH3:37])[cH:32][cH:33][cH:34][cH:35]3)[cH:22][cH:23]2)[cH:45][cH:46][cH:47][cH:48]1