1,2-Dichloroethane → HCID 178434045, compound

HRID 1218250Notes

Reaction equation

HRID 1218250 reaction equation
[CH3:1][c:2]1[c:3](=[O:21])[n:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5](=[O:12])[n:6]([CH2:8][CH2:9][CH:10]=[O:11])[n:7]1.[CH3:42][CH:43]([CH3:44])[O-:45].[CH3:47][CH:48]([CH3:49])[O-:50].[CH3:51][CH:52]([CH3:53])[O-:54].[CH3:55][CH:56]([CH3:57])[O-:58].[Cl:38][CH2:39][CH2:40][Cl:41].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([C:30]23[CH2:31][NH:32][CH2:33][CH:34]2[CH2:35]3)[cH:28][cH:29]1)([F:36])[F:37].[Ti+4:46]>>[CH3:1][c:2]1[c:3](=[O:21])[n:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5](=[O:12])[n:6]([CH2:8][CH2:9][CH2:10][N:32]2[CH2:31][C:30]3([c:27]4[cH:26][cH:25][c:24]([C:23]([F:22])([F:36])[F:37])[cH:29][cH:28]4)[CH:34]([CH2:33]2)[CH2:35]3)[n:7]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 86645644HCID 86645644, compound

Product 1

HCID 178434045HCID 178434045, compound

Sources & evidence

ORD record
ord-c8907e82cd90412ea5f2515ce60a72eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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