Hydrochloric Acid → 6,6-diphenyl-1 (2-trimethylsilanylethoxymethyl)-6,7-dihydro-1H-indazole-3-carboxylic acid (2-chloroethyl)amide

HRID 1218252Notes

Reaction equation

HRID 1218252 reaction equation
[CH3:13][N:14]([CH3:15])[CH2:16][CH2:17][CH2:18][N:19]=[C:20]=[N:21][CH2:22][CH3:23].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:25][CH2:26][CH2:27][NH2:28].[Cl:61][CH2:62][Cl:63].[ClH:12].[ClH:24].[OH2:1].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1.[c:29]1([C:35]2([c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[CH:36]=[CH:37][c:38]3[c:39]([C:52](=[O:53])[OH:54])[n:40][n:41]([CH2:44][O:45][CH2:46][CH2:47][Si:48]([CH3:49])([CH3:50])[CH3:51])[c:42]3[CH2:43]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[Cl:25][CH2:26][CH2:27][NH:28][C:52]([c:39]1[c:38]2[c:42]([n:41]([CH2:44][O:45][CH2:46][CH2:47][Si:48]([CH3:49])([CH3:50])[CH3:51])[n:40]1)[CH2:43][C:35]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:36]=[CH:37]2)=[O:53]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 133692-ChloroethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 219287866,6-diphenyl-1-(2-trimethylsilanylethoxymethyl)-6,7-dihydro-1H-indazole-3-carboxylic acid

Product 1

HCID 865940046,6-diphenyl-1 (2-trimethylsilanylethoxymethyl)-6,7-dihydro-1H-indazole-3-carboxylic acid (2-chloroethyl)amide

Sources & evidence

ORD record
ord-5b4b6493f9a54d4190a45a607bb2c7aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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