1,2-Dichloroethane → HCID 23582863, compound

HRID 155418Notes

Reaction equation

HRID 155418 reaction equation
[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45]1.[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[c:9]2[C:10]([CH2:37][C:38](=[O:39])[OH:40])([CH2:11]1)[CH2:12][N:13]3[CH2:14][c:15]1[n:16][c:17]2[cH:18][c:19]3[c:20]([cH:21][c:22]2[cH:23][cH:24]1)[CH2:25][C:26]1([CH2:27]3)[C:28](=[O:36])[NH:29][c:30]2[n:31][cH:32][cH:33][cH:34][c:35]21.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[O:1]=[C:2]([CH2:11][C:10]12[c:9]3[c:4]([cH:5][cH:6][cH:7][c:8]3[N:13]([CH2:14][c:15]3[n:16][c:17]4[cH:18][c:19]5[c:20]([cH:21][c:22]4[cH:23][cH:24]3)[CH2:25][C:26]3([CH2:27]5)[C:28](=[O:36])[NH:29][c:30]4[n:31][cH:32][cH:33][cH:34][c:35]43)[CH2:12]1)[NH:3][C:38](=[O:39])[CH2:37]2)[N:44]1[CH2:43][CH2:42][CH2:41][CH2:45]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 31268PyrrolidineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 23582862HCID 23582862, compound

Product 1

HCID 23582863HCID 23582863, compound

Sources & evidence

ORD record
ord-b9df4e360c6643fba86c6001a1de77ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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