HRID1217715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID177085

(Benzyloxy)acetyl chloride

C9H9ClO2

结构：CC(Cc1ccc(O)cc1)N(Cc1ccccc1)CC(O)c1ccc(OCc2ccccc2)c(N)c1

HCID53901474

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1ccc(O)cc1)N(Cc1ccccc1)CC(O)c1ccc(OCc2ccccc2)c(NC(=O)COCc2ccccc2)c1

HCID54278031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01168f101d3e4fb59e907011c3baae67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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