HRID2329592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID5975

Cyanide

CN-

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID3034427

Phenol, bis(1,1-dimethylethyl)-4-methyl-

C15H24O

反应SMILES：Cc1ccc(C=C2C=CC=CC2[PH+](c2ccccc2)c2ccccc2)nc1-c1ccccn1

HCID178424496

未命名化合物

PRODUCTS

产物

HCID20475366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9564308e630b4f95bc59d6f44fa35bc7
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

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