Sodium ion → HCID 13983098, compound

HRID 695366Notes

Reaction equation

HRID 695366 reaction equation
[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH2:11][CH2:12][OH:13])[c:7]2[n:8][cH:9][n:10]1.[NH2:14][CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][CH:20]([NH:23][c:24]2[n:25][c:26]3[c:27]([n:28]2[CH2:29][c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:37][cH:38][cH:39][cH:40]3)[CH2:21][CH2:22]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:47]>>[c:2]1([NH:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([NH:23][c:24]3[n:25][c:26]4[c:27]([n:28]3[CH2:29][c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[cH:37][cH:38][cH:39][cH:40]4)[CH2:21][CH2:22]2)[c:3]2[n:4][cH:5][n:6]([CH2:11][CH2:12][OH:13])[c:7]2[n:8][cH:9][n:10]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 2340102-(6-Chloro-9h-purin-9-yl)ethanolHCID 12891741N-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine

Product 1

HCID 13983098HCID 13983098, compound

Sources & evidence

ORD record
ord-1313367bf00249e1869217e5698d34a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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