HRID2155958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID610356

未命名化合物

结构：Cc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1

HCID10685309

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)C(=O)N(c1c(C)c(C)c3c(c1C)C(c1ccc(C)cc1)C(C)(C)O3)C2=O

HCID21961367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b96df4e369f4b70bacbe2228a945042
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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