HRID1233206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11150198

未命名化合物

HCID13672728

Hydroxy(pyridin-3-yl)acetic acid

C7H7NO3

PRODUCTS

生成物

结构：CC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC(=O)C(O)c1cccnc1

HCID178439616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01f86f6841d04c0c9ec1a9e07154322c
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

[C:72](=[O:73])([O-:74])[OH:75].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]([CH2:18][CH:19]([CH3:20])[NH2:21])[cH:15][nH:16][c:17]12.[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[ClH:45].[Na+:76].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[OH2:77].[OH:27][CH:28]([C:29](=[O:30])[OH:31])[c:32]1[cH:33][n:34][cH:35][cH:36][cH:37]1.[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1.[S:22]([OH:23])([OH:24])(=[O:25])=[O:26]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]([CH2:18][CH:19]([CH3:20])[NH:21][C:29]([CH:28]([OH:27])[c:32]3[cH:33][n:34][cH:35][cH:36][cH:37]3)=[O:30])[cH:15][nH:16][c:17]12