1,2-Dichloroethane → N-(3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-3-phenylpropyl)-1,3,4-thiadiazol-2-amine

HRID 692445Notes

Reaction equation

HRID 692445 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:49](=[O:50])([OH:51])[O-:52].[CH2:54]([Cl:55])[CH2:56][Cl:57].[CH3:58][CH:59]([CH3:60])[O-:61].[CH3:62][CH:63]([CH3:64])[O-:65].[CH3:66][CH:67]([CH3:68])[O-:69].[CH3:70][CH:71]([CH3:72])[O-:73].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([CH:17]([C:18]([CH:19]=[O:20])([CH3:21])[CH3:22])[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[Na+:48].[Na+:53].[Ti+4:74].[s:29]1[c:30]([NH2:34])[n:31][n:32][cH:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([CH:17]([C:18]([CH2:19][NH:34][c:30]4[s:29][cH:33][n:32][n:31]4)([CH3:21])[CH3:22])[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 199091,3,4-Thiadiazol-2-amineHCID 114942Titanium cation (4+)HCID 2724942TriacetoxyborohydrideHCID 3260420Isopropanolate4×HCID 592510413-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-3-phenylpropanal

Product 1

HCID 24937094N-(3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-3-phenylpropyl)-1,3,4-thiadiazol-2-amine

Sources & evidence

ORD record
ord-2edf096e3cb24515900961510f490a01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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