HRID113805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6573

1,1-Dichloropropane

C3H6Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：COc1ccccc1-c1cc(F)cc2c1OC(CN=[N+]=[N-])CC2

HCID91065715

未命名化合物

PRODUCTS

生成物

HCID69117660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07d89384f453493f969957eaf82dc00a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:51]([CH:52]([Cl:53])[Cl:54])[CH3:55].[CH3:43][OH:44].[N:1](=[N+:2]=[N-:3])[CH2:4][CH:5]1[O:6][c:7]2[c:8](-[c:16]3[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:9][c:10]([F:15])[cH:11][c:12]2[CH2:13][CH2:14]1.[NH4+:57].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:56].[OH2:50].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[NH2:1][CH2:4][CH:5]1[O:6][c:7]2[c:8](-[c:16]3[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:9][c:10]([F:15])[cH:11][c:12]2[CH2:13][CH2:14]1