HRID300910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2725073

1-Amino-3-phenoxypropan-2-ol

C9H13NO2

HCID22177069

6-Iodo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

C10H9IO3

PRODUCTS

生成物

结构：O=C(NCC(O)COc1ccccc1)C1CCc2cc(I)ccc2O1

HCID22744254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33e9b3f26708482fb7ece29756830e2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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