HRID191410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

结构：O=C(CCCCCCCCc1cccnc1)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1

HCID129491

Ro 23-7637

C33H40N2O

HCID166653

Hydride

H-

2 次

HCID18764105

未命名化合物

PRODUCTS

生成物

结构：C(=C(c1ccccc1)c1ccccc1)C1CCN(CCCCCCCCCc2cccnc2)CC1

HCID13754536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efbaf7b7673744caa8868ddeade66e05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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