Dichloromethane → HCID 23043819, compound

HRID 678991Notes

Reaction equation

HRID 678991 reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[O-:10])=[O:11].[Cl:19][C:20]([O:21][CH2:22][CH3:23])=[O:24].[Cl:66][CH2:67][Cl:68].[c:25]1([CH2:31][O:32][c:33]2[c:34]([CH2:50][CH2:51][c:52]3[cH:53][c:54]([O:58][CH2:59][c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:55][cH:56][cH:57]3)[c:35]([CH2:47][CH2:48][NH2:49])[cH:36][cH:37][c:38]2[O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[C:3]([CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10])(=[O:11])[NH:49][CH2:48][CH2:47][c:35]1[c:34]([CH2:50][CH2:51][c:52]2[cH:53][c:54]([O:58][CH2:59][c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)[cH:55][cH:56][cH:57]2)[c:33]([O:32][CH2:31][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:38]([O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:37][cH:36]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 6994472Methyl adipateHCID 23043970HCID 23043970, compound

Product 1

HCID 23043819HCID 23043819, compound

Sources & evidence

ORD record
ord-d988e8490bf649869469e5b3f9261067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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