Tetrahydrofuran → N-{2-[(4-fluorophenylmethyl)amino]phenyl}-N'-[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl]thiourea

HRID 2322790Notes

Reaction equation

HRID 2322790 reaction equation
[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][n:25]2[c:26]([NH:34][CH:35]3[CH2:36][CH2:37][N:38]([CH2:41][CH2:42][N:43]=[C:44]=[S:45])[CH2:39][CH2:40]3)[n:27][c:28]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][c:10]2[c:11]([NH2:16])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][c:10]2[c:11]([NH:16][C:44]([NH:43][CH2:42][CH2:41][N:38]3[CH2:37][CH2:36][CH:35]([NH:34][c:26]4[n:25]([CH2:24][c:21]5[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]5)[c:29]5[c:28]([n:27]4)[cH:33][cH:32][cH:31][cH:30]5)[CH2:40][CH2:39]3)=[S:45])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 114699771,2-Benzenediamine, N-[(4-fluorophenyl)methyl]-HCID 128917531-(4-fluorophenylmethyl)-N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]1H-benzimidazol-2-amine

Product 1

HCID 53996556N-{2-[(4-fluorophenylmethyl)amino]phenyl}-N'-[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl]thiourea

Sources & evidence

ORD record
ord-cf4616f7b6a143a1b7d33685b08ebecf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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