Hydrochloric Acid → 4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-methyl-thiazol-4-ylmethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol

HRID 1554669Notes

Reaction equation

HRID 1554669 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([c:12]2[n:13][c:14]([NH:24][CH2:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[n:15][c:16]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:17]2)[CH3:34])[cH:6][cH:7]1.[Cl:36][CH2:37][c:38]1[n:39][c:40]([CH3:43])[s:41][cH:42]1.[ClH:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([c:12]2[n:13][c:14]([NH:24][CH2:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH2:37][c:38]4[n:39][c:40]([CH3:43])[s:41][cH:42]4)[CH2:22][CH2:23]3)[n:17]2)[CH3:34])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 7363414-(Chloromethyl)-2-methyl-1,3-thiazoleHCID 102995574-(2-{[4-[[3-(4-Chlorophenyl)propyl](methyl)amino]-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol

Product 1

HCID 102820294-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-methyl-thiazol-4-ylmethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol

Sources & evidence

ORD record
ord-8ec6acbefc6a41d5ab6e142df77d63b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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