1,2-Dichloroethane → HCID 70138522, compound

HRID 117974Notes

Reaction equation

HRID 117974 reaction equation
[CH2:21]([CH3:22])[NH:23][CH2:24][CH:25]([C:26](=[O:27])[OH:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([I:39])[cH:37][cH:38]1.[CH2:40]([Cl:41])[CH2:42][Cl:43].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[ClH:1].[ClH:20].[NH2:2][c:3]1[n:4][c:5]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]2)[cH:6][cH:7][cH:8]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[NH2:2][c:3]1[n:4][c:5]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:17])[N:23]([CH2:21][CH3:22])[CH2:24][CH:25]([C:26](=[O:27])[OH:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]3[cH:34][cH:35][c:36]([I:39])[cH:37][cH:38]3)[cH:18][cH:19]2)[cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 10705330HCID 10705330, compoundHCID 178464418HCID 178464418, compound

Product 1

HCID 70138522HCID 70138522, compound

Sources & evidence

ORD record
ord-a0a6e5ea23a34ce0b9af729019db64bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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