Acetic Acid → HCID 178446315, compound

HRID 2126494Notes

Reaction equation

HRID 2126494 reaction equation
[CH3:1][N:2]([C:3](=[O:4])[N:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14](-[c:19]3[n:20][n:21][n:22][n:23]3[C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:11][cH:12]1)[CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[c:48]1[c:49]([C:54]([F:55])([F:56])[F:57])[cH:50][cH:51][cH:52][cH:53]1.[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][OH:63].[Cl:64][CH2:65][Cl:66]>>[CH3:1][N:2]([C:3](=[O:4])[N:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14](-[c:19]3[n:20][n:21][n:22][nH:23]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:11][cH:12]1)[CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[c:48]1[c:49]([C:54]([F:55])([F:56])[F:57])[cH:50][cH:51][cH:52][cH:53]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 6344DichloromethaneHCID 190244521-methyl-3-pentyl-1-[2-(trifluoromethyl)phenyl]-3-[[2'(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]urea

Product 1

HCID 178446315HCID 178446315, compound

Sources & evidence

ORD record
ord-b85b217ffc7e4a878390408a48d9465b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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