3-Methylbenzyl isocyanate → cis-1-{3-[4-Amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-3-(3-methyl-benzyl)-urea

HRID 172995

Reaction equation

HRID 172995 reaction equation
[CH3:31][c:32]1[cH:33][c:34]([CH2:35][N:36]=[C:37]=[O:38])[cH:39][cH:40][cH:41]1.[NH2:1][CH2:2][CH:3]1[CH2:4][CH:5]([n:7]2[cH:8][c:9](-[c:17]3[cH:18][c:19]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20][cH:21][cH:22]3)[c:10]3[c:11]2[n:12][cH:13][n:14][c:15]3[NH2:16])[CH2:6]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][CH:5]([n:7]2[cH:8][c:9](-[c:17]3[cH:18][c:19]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20][cH:21][cH:22]3)[c:10]3[c:11]2[n:12][cH:13][n:14][c:15]3[NH2:16])[CH2:6]1)[C:37]([NH:36][CH2:35][c:34]1[cH:33][c:32]([CH3:31])[cH:41][cH:40][cH:39]1)=[O:38]

Participants

3

Reactant 2

HCID 27333873-Methylbenzyl isocyanateHCID 10157767cis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

Product 1

HCID 68743860cis-1-{3-[4-Amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-3-(3-methyl-benzyl)-urea

Sources & evidence

ORD record
ord-98316f31a671408da623bd94706357a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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